SCHEMBL9440322

SCHEMBL9440322

O=C(CCc1ccc(CCl)cc1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
CTSG P08311 2/20 0.59
CMA1 P23946 2/20 0.59
ACE P12821 4/20 0.55
PIN1 Q13526 1/20 0.55
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
CDC25B P30305 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51
MME P08473 3/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
GRIA1 P42261 1/20 0.51
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL9440326 1.00 ITGB3 (0.61) ITGB3ITGA2BCTSGCMA1ACE
SCHEMBL4153095 0.91 ITGB3 (0.65) ITGB3ITGA2BCTSGCMA1ACE
SCHEMBL4153101 0.91 ITGB3 (0.65) ITGB3ITGA2BCTSGCMA1ACE
SCHEMBL5458748 0.91 ITGB3 (0.65) ITGB3ITGA2BCTSGCMA1ACE
SCHEMBL4147417 0.87 ITGB3 (0.62) ITGB3ITGA2BACEPIN1PTPN2
SCHEMBL4147927 0.87 ITGB3 (0.62) ITGB3ITGA2BACEPIN1PTPN2
SCHEMBL4147924 0.87 ITGB3 (0.62) ITGB3ITGA2BACEPIN1PTPN2
SCHEMBL4147413 0.87 ITGB3 (0.62) ITGB3ITGA2BACEPIN1PTPN2
SCHEMBL9440106 0.87 HDAC1 (0.59) CTSGCMA1
SCHEMBL9440111 0.87 HDAC1 (0.59) CTSGCMA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
US-5326905-A Benzylphosphonic acid tyrosine kinase inhibitors PFIZER INC. (US) 1994-07-05 US disclosed
EP-0526488-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS. PFIZER (US) 1993-02-10 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed