SCHEMBL7654131

SCHEMBL7654131

Cc1c(CCCO)c(=O)[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.72
KDM4E B2RXH2 11/20 0.62
ALDH1A1 P00352 10/20 0.62
HSD17B10 Q99714 6/20 0.62
HPGD P15428 5/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.61
DAO P14920 1/20 0.57
DDO Q99489 1/20 0.57
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 3/20 0.51
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL12559597 0.80 RAB9A (0.76) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7847012 0.79 KDM4E (0.63) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL31146266 0.78 KDM4E (0.65) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL14485203 0.78 KDM4E (0.65) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15375702 0.77 KDM4E (1.00) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7436988 0.77 KDM4E (1.00) KDM4EALDH1A1POLBGAAHTT
SCHEMBL20669916 0.77 DAO (0.59) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL377487 0.76 ALDH1A1 (0.68) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL31192183 0.76 ALDH1A1 (0.68) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2754183 0.76 KDM4E (1.00) RAB9AKDM4EALDH1A1HSD17B10HPGD

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-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed