SCHEMBL8899533

SCHEMBL8899533

COC(=O)NC(=N)c1ccc(NC(=O)NCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 13/20 0.46
▸ F2 P00734 7/20 0.46
▸ F10 P00742 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL8898242 0.89 F7 (0.45) F7F2F10CA12CA1
SCHEMBL4413240 0.87 F7 (0.44) F7F2F10CA12CA1
SCHEMBL8898015 0.84 F7 (0.47) F7F2MAPTNAMPT
SCHEMBL4426386 0.78 F7 (0.64) F7F2F10ITGB3
SCHEMBL29951995 0.77 MAPT (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL8896780 0.76 F7 (0.41) F7F2F10CA12CA1
SCHEMBL1514347 0.76 RAB9A (0.68) CASRMAPT
SCHEMBL4417206 0.75 PPID (0.47) F7CA12CA1CA2CA9
SCHEMBL16223190 0.74 NAMPT (0.69) ALDH1A1CASRMAPTNAMPT
SCHEMBL20335100 0.74 ALDH1A1 (0.71) ALDH1A1ITGB3ITGB1ITGAVITGA5

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-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 — — US disclosed
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