SCHEMBL6585321

SCHEMBL6585321

CC(C)(C)CC(Oc1cccc(B(O)O)c1)O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ MGLL Q99685 2/20 0.34
▸ PSMB5 P28074 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL7411092 0.91 ENPP2 (0.34) ENPP2
SCHEMBL6589307 0.81 MAOB (0.38) —
SCHEMBL6585338 0.76 ENPP2 (0.41) ENPP2MGLLCA1CA2
SCHEMBL7412493 0.76 ALDH1A1 (0.36) —
SCHEMBL3577660 0.70 ENPP2 (0.61) ENPP2MGLLCA1CA2NLRP3
SCHEMBL7411096 0.69 ENPP2 (0.34) ENPP2
SCHEMBL7998 0.67 ENPP2 (0.63) ENPP2MGLLCA1CA2NLRP3
SCHEMBL23364676 0.66 ENPP2 (0.58) ENPP2MGLLCA1CA2NLRP3
SCHEMBL8472790 0.65 CYP3A4 (0.41) —
SCHEMBL29955003 0.65 ENPP2 (0.56) ENPP2MGLLNLRP3

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
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 — — EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed
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