SCHEMBL4632723

SCHEMBL4632723

CCOc1ccc(C#Cc2cccc(C(=O)NC)c2)cc1C(=O)NC(O)[C@H](C)c1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CREBBP Q92793 1/20 0.37
SSTR2 P30874 7/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL4632727 1.00 ALOX5 (0.41) ALOX5EPHX2MAPTKDM4EMAPK1
SCHEMBL4632718 0.83 ALOX5 (0.43) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL4632724 0.79 GPR84 (0.40) ALOX5EPHX2MAPTKDM4EMAPK1
SCHEMBL4028884 0.79 ALOX5 (0.47) ALOX5EPHX2MAPTMAPK1MEN1
SCHEMBL4028875 0.79 ALOX5 (0.47) ALOX5EPHX2MAPTMAPK1MEN1
SCHEMBL4034815 0.78 ALOX5 (0.46) ALOX5EPHX2MAPTMAPK1MEN1
SCHEMBL4034821 0.78 ALOX5 (0.46) ALOX5EPHX2MAPTMAPK1MEN1
SCHEMBL4633386 0.77 HDAC3 (0.44) MAPTMEN1KMT2A
SCHEMBL5149347 0.76 KDM4E (0.38) MAPTKDM4EMAPK1SSTR2MEN1
SCHEMBL5149356 0.76 KDM4E (0.38) MAPTKDM4EMAPK1SSTR2MEN1

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
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP disclosed