SCHEMBL9340701

SCHEMBL9340701

CCCC1CCC(C2CCC(c3ccc(CCC(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 13/20 0.39
SPHK2 Q9NRA0 7/20 0.35
ESR2 Q92731 1/20 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
SCHEMBL9340710 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9340696 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9343224 0.95 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9343220 0.95 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9343226 0.95 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9340506 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9340513 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9340519 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9341061 0.92 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9341066 0.92 SPHK1 (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed