SCHEMBL8085907

SCHEMBL8085907

CCCCCOc1c(OC)ccc2c(=O)c(C(=O)OCC)c[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.55
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 4/20 0.45
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
CNR1 P21554 1/20 0.42

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
SCHEMBL14845114 0.88 CLEC4M (0.63) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL7290870 0.81 CLEC4M (0.63) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL15999534 0.79 CLEC4M (0.64) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL8912313 0.78 ALDH1A1 (0.61) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL29145962 0.78 CLEC4M (0.62) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL30697790 0.78 CLEC4M (0.62) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL10493397 0.77 CLEC4M (0.56) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL774558 0.77 CLEC4M (0.76) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL9829849 0.77 CLEC4M (0.56) CLEC4MKDM4EMAPTCYP1A2CYP3A4
SCHEMBL7291947 0.75 CLEC4M (0.54) CLEC4MKDM4EMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed