SCHEMBL10887544

SCHEMBL10887544

CC(=O)Nc1ccc2c(=O)c(OC(C)=O)c(-c3ccc(C(=O)O)cc3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL10890436 0.82 CA12 (0.46) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL10892587 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL17786624 0.76 MAPT (0.52) ALDH1A1MAPTKDM4ECA12CA1
SCHEMBL10890144 0.75 TNKS (0.61) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL14020467 0.74 ALDH1A1 (0.85) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL14020471 0.73 ALDH1A1 (0.79) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL1422852 0.72 ALDH1A1 (0.78) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL490587 0.72 TTR (0.62) ALDH1A1NPC1RAB9AKDM4ECA12
SCHEMBL10885986 0.72 MAPT (0.48) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL17786434 0.72 KDM4E (0.62) ALDH1A1MAPTNPC1RAB9AKDM4E

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-4600788-A ANTIDIABETIC AGENTS, DIURETICS/ ALYST, ENAMINE SOCIETE CORTIAL, S.A. (FR) 1986-07-15 — — US disclosed
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