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SCHEMBL1136842

SCHEMBL1136842

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1/C=C/c1ccc(N2CCNC(C(=O)O)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ CYP21A2 P08686 1/20 0.30
▸ CYP11B1 P15538 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
SCHEMBL1136850 1.00 ALPL (0.32) ALPLP4HBMAOBUSP30ABCB1
SCHEMBL3000938 0.82 MAOB (0.38) ALPLP4HBMAOBALKCYP17A1
SCHEMBL3000928 0.82 MAOB (0.38) ALPLP4HBMAOBALKCYP17A1
SCHEMBL1136797 0.77 ABCB1 (0.46) USP30ABCB1ALK
SCHEMBL1136795 0.77 ABCB1 (0.46) USP30ABCB1ALK
SCHEMBL18320617 0.68 ALPL (0.45) ALPLP4HB
SCHEMBL1136707 0.67 MAPT (0.44) MAOBALK
SCHEMBL1136706 0.67 MAPT (0.44) MAOBALK
SCHEMBL1136702 0.64 CYP17A1 (0.41) CYP17A1CYP21A2CYP11B1
SCHEMBL1136704 0.64 CYP17A1 (0.41) CYP17A1CYP21A2CYP11B1

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-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 — — EP disclosed