SCHEMBL1900540

SCHEMBL1900540

CCCCCCCc1c(O)c(=O)[nH]c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.80
ALDH1A1 P00352 9/20 0.80
HSD17B10 Q99714 7/20 0.80
HPGD P15428 6/20 0.80
GAA P10253 1/20 0.77
RAB9A P51151 1/20 0.58
DAO P14920 1/20 0.56
DDO Q99489 1/20 0.56
USP2 O75604 1/20 0.55
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
MAPT P10636 1/20 0.53
IDE P14735 1/20 0.53
MPI P34949 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53

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
SCHEMBL3284596 0.99 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL12204302 0.89 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2754183 0.87 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL15375702 0.82 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2500290 0.81 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL3451421 0.80 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL8444672 0.79 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL8440798 0.79 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL8445875 0.79 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL8445695 0.79 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130309697-A1 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME MITCHELL MATTHEW W (US) 2013-11-21 US disclosed
US-8518650-B2 Biomarkers for prostate cancer and methods using the same METABOLON, INC. (US) 2013-08-27 US disclosed
WO-2011055987-A2 METHOD FOR SCREENING OF QUORUM SENSING INHIBITORS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-12 WO disclosed
US-20100292331-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABALON, INC. (US) 2010-11-18 US disclosed