SCHEMBL8453318

SCHEMBL8453318

CCc1ccc([C@H]2CC[C@H](CC[C@H]3CC[C@H](/C=C/CCCF)CC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 11/20 0.33
SPHK2 Q9NRA0 7/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8453321 1.00 CYP2C9 (0.35) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8453324 1.00 CYP2C9 (0.35) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8454554 0.90 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8454563 0.90 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8448288 0.86 MAOB (0.33)
SCHEMBL8448290 0.86 MAOB (0.33)
SCHEMBL8448285 0.86 MAOB (0.33)
SCHEMBL8448283 0.86 MAOB (0.33)
SCHEMBL8456511 0.86 SPHK1 (0.35) ESR2SPHK1SPHK2
SCHEMBL8456507 0.86 SPHK1 (0.35) ESR2SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed