SCHEMBL730117

SCHEMBL730117

CCCCCC1CC=C(c2cccc(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
CLK2 P49760 1/20 0.32
LIMK1 P53667 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
SLK Q9H2G2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9493947 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9494782 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493359 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497782 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493202 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9419289 0.99 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7728087 0.97 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7728084 0.97 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497022 0.96 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10535979 0.92 CCNT1 (0.30) HDAC3HDAC1HDAC2HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004723-A None JP disclosed
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
EP-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
JP-H024723-A CYCLOHEXENE DERIVATIVE MERCK PATENT GMBH 1990-01-09 JP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed