SCHEMBL9477287

SCHEMBL9477287

CCCc1ccc(C2CCC(CCC3CCC(/C=C/F)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.42
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK2 Q9NRA0 7/20 0.37
ESR2 Q92731 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9477309 1.00 SPHK1 (0.42) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9477296 1.00 SPHK1 (0.42) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9478002 0.93 SPHK1 (0.47) SPHK1SPHK2MAOAMAOB
SCHEMBL9477981 0.93 SPHK1 (0.47) SPHK1SPHK2MAOAMAOB
SCHEMBL9477993 0.93 SPHK1 (0.47) SPHK1SPHK2MAOAMAOB
SCHEMBL9475585 0.92 SPHK1 (0.49) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9475579 0.92 SPHK1 (0.49) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9475573 0.92 SPHK1 (0.49) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9475705 0.91 SPHK1 (0.54) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9475699 0.91 SPHK1 (0.54) SPHK1CYP2C9ALDH1A1LMNAMAPT

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
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed