SCHEMBL7718445

SCHEMBL7718445

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2nc(Cl)cc3ccccc23)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.53
PTPN1 P18031 3/20 0.53
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
CTSS P25774 5/20 0.49
CTSK P43235 4/20 0.49
CTSB P07858 2/20 0.49
SCN9A Q15858 1/20 0.49
BCL2 P10415 1/20 0.46
CTSL P07711 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
EGLN2 Q96KS0 1/20 0.44

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
SCHEMBL7718439 1.00 ACE (0.53) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL7716481 0.89 ACE (0.52) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL7716474 0.89 ACE (0.52) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL7714220 0.88 PTPN1 (0.51) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL7714215 0.88 PTPN1 (0.51) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3925152 0.81 ACE (0.65) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3923929 0.81 ACE (0.65) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL3923937 0.81 ACE (0.65) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL2290444 0.81 ACE (0.65) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL7710699 0.81 ITGB1 (0.45) ITGB1

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed