SCHEMBL8376554

SCHEMBL8376554

CCC[C@H]1CC[C@H](c2ccc(CCc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SPHK1 Q9NYA1 11/20 0.47
ESR2 Q92731 1/20 0.41
DGAT1 O75907 1/20 0.41
SPHK2 Q9NRA0 7/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL8376561 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10902271 0.92 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4802377 0.92 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4802367 0.92 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11158665 0.91 SPHK1 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11158662 0.91 SPHK1 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13345644 0.90 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9407869 0.90 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8376559 0.90 SPHK1 (0.54) CYP2C9ALDH1A1LMNAMAPTSPHK1
SCHEMBL9407868 0.90 CYP2C9 (0.49) 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
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0452460-B2 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1999-08-11 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed