SCHEMBL9335396

SCHEMBL9335396

CCCc1ccc(C#Cc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SPHK1 Q9NYA1 11/20 0.44
ACACB O00763 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ESR2 Q92731 1/20 0.40
SPHK2 Q9NRA0 7/20 0.39

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
SCHEMBL11466923 0.91 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11466853 0.91 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10486078 0.91 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452019 0.90 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7505735 0.90 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7908304 0.89 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9138571 0.89 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9138563 0.89 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7908301 0.89 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9743165 0.88 CYP2C9 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed
EP-0377516-A2 Liquid crystal compounds having high optical anisotropy Chisso Corporation (JP) 1990-07-11 EP disclosed