SCHEMBL9302628

SCHEMBL9302628

CCC[C@H]1CC[C@H](c2ccc(CCc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SPHK1 Q9NYA1 12/20 0.43
ESR2 Q92731 1/20 0.38
SPHK2 Q9NRA0 7/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL9302632 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9809556 0.88 MAOB (0.40) ALDH1A1CNR1
SCHEMBL8999673 0.88 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8999677 0.88 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8857700 0.88 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8857689 0.88 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9317939 0.88 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9317935 0.88 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452173 0.87 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452177 0.87 CYP2C9 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3206055-A None JP disclosed
US-5286410-A Positive dielectric anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-02-15 US disclosed
EP-0363451-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1993-10-06 EP disclosed
JP-H03206055-A LIQUID CRYSTALLINE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION SEIKO EPSON CORP 1991-09-09 JP disclosed
EP-0363451-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008692-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed