SCHEMBL8380862

SCHEMBL8380862

CCCCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.41
FAAH O00519 3/20 0.41
ELANE P08246 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8035948 1.00 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7511856 1.00 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL8753917 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL8753896 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL8753903 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL8432946 0.96 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7509213 0.96 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL8432940 0.95 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7507863 0.95 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11105492 0.93 KMT2A (0.43) HTTKMT2ASMN1; SMN2TDP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0393636-B1 Liquid crystal composition and liquid crystal display using said composition CHISSO CORP (JP) 1994-07-20 EP disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 EP disclosed
US-5178790-A With excellent steepness of characteristics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-12 US disclosed
EP-0306917-B1 A NEMATIC LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-06-17 EP disclosed
EP-0393636-A2 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1990-10-24 EP disclosed
US-4917818-A STEEP VOLTAGE TRANSMITTANCE USED IN WATCHES, ELECTRONIC CALCULATORS CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0318003-A2 A liquid crystal composition for twist nematic mode CHISSO CORPORATION (JP) 1989-05-31 EP disclosed