SCHEMBL8081862

SCHEMBL8081862

CCCC1CCC(C2(c3ccccc3F)C(c3ccccc3F)=CC(C(=O)O)C=C2c2ccccc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
VCP P55072 1/20 0.32
USP19 O94966 2/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
OPRL1 P41146 1/20 0.31
HDAC4 P56524 6/20 0.31
MAPT P10636 2/20 0.31
GNRHR P30968 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 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
SCHEMBL8025509 1.00 POLB (0.33) POLBVCPUSP19CYP2C9ADORA2A
SCHEMBL7723018 0.97 POLB (0.32) POLBVCPUSP19CYP2C9
SCHEMBL8025947 0.93 CYSLTR2 (0.32) POLB
SCHEMBL8078693 0.93 CYSLTR2 (0.32) POLB
SCHEMBL8027353 0.91 POLB (0.34) POLBVCPADORA2AADORA1OPRL1
SCHEMBL8075530 0.85 OPRL1 (0.31) VCPOPRL1
SCHEMBL7510560 0.77 CYP2C9 (0.34) CYP2C9OPRL1HDAC4MAPTALDH1A1
SCHEMBL8045323 0.77 CYP2C9 (0.34) CYP2C9OPRL1HDAC4MAPTALDH1A1
SCHEMBL7507973 0.72 VCP (0.37) VCPCYP2C9OPRL1HDAC4MAPT
SCHEMBL8025459 0.71 HDAC4 (0.36) POLBUSP19HDAC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed