SCHEMBL7857341

SCHEMBL7857341

CCCC1CCC(c2ccc(C3CCC(C=O)CC3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 16/20 0.35

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
SCHEMBL729805 0.96 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12733586 0.90 MAPT (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17527873 0.84 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7857353 0.83 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19753069 0.83 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12994006 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26044764 0.82 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17359492 0.82 NOTUM (0.31)
SCHEMBL7723263 0.82 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12716298 0.82 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1

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-0920405-B1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-07-11 EP disclosed
US-6207076-B1 HIGH ELASTIC CONSTANT RATIO, LOW VISCOSITY, WIDE NEMATIC PHASE TEMPERATURE RANGE, CHEMICAL STABILITY CHISSO CORPORATION (JP) 2001-03-27 US disclosed
EP-0920405-A1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1999-06-09 EP disclosed
WO-1998008791-A1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-03-05 WO disclosed