SCHEMBL9493947

SCHEMBL9493947

CCCCCCCCC1CC=C(c2cccc(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
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

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
SCHEMBL9419289 1.00 GRM2 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9497782 1.00 GRM2 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9493202 1.00 GRM2 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9494782 1.00 GRM2 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9493359 1.00 GRM2 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL730117 0.99 HDAC3 (0.34) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7728087 0.96 HDAC3 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7728084 0.96 HDAC3 (0.33) GRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9497022 0.95 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10535979 0.93 CCNT1 (0.30) GRM2HDAC3HDAC1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed