SCHEMBL17359804

SCHEMBL17359804

CON(C)Cc1cccc(B(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.53
LPL P06858 2/20 0.49
LIPG Q9Y5X9 2/20 0.49
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MGLL Q99685 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR7 P34969 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
SCHEMBL1723229 0.82 ENPP2 (0.60) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL19492821 0.79 ENPP2 (0.56) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL6353060 0.78 ENPP2 (0.55) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL29956793 0.76 ENPP2 (0.52) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL29951479 0.76 ENPP2 (0.49) ENPP2LPLLIPG
SCHEMBL8528 0.75 ENPP2 (0.61) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL28413768 0.75 ENPP2 (0.55) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL2562738 0.74 LPL (0.54) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL2634549 0.74 ENPP2 (0.50) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL29953749 0.73 ENPP2 (0.49) ENPP2LPLLIPGCXCR1CXCR2

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-9220711-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-29 US disclosed