SCHEMBL12345950

SCHEMBL12345950

COc1ccc(C2(c3ccc(OC(=O)CCCCCCCCCCC(C)=O)cc3C)CCCCC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.38
▸ OPRD1 P41143 13/20 0.38
▸ OPRK1 P41145 13/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36

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
SCHEMBL14700574 0.82 ACHE (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL15001304 0.81 ADORA3 (0.43) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL15001290 0.81 ADORA3 (0.43) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL15001294 0.81 ADORA3 (0.43) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL15001308 0.81 ADORA3 (0.43) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL14802305 0.80 PDE7A (0.40) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
SCHEMBL12345952 0.79 ADORA3 (0.43) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL14579684 0.77 CYP1A2 (0.57) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL15001291 0.77 EGFR (0.44) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL139327 0.75 CA1 (0.47) MEN1KMT2AKDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189603-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND MANUFACTURING METHOD THEREOF FUJI ELECTRIC SYSTEMS CO., LTD. (JP) 2011-08-04 — — US disclosed
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