SCHEMBL7335757

SCHEMBL7335757

CCCCCCCCOc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.74
ITGA2B P08514 14/20 0.74
ITGB1 P05556 3/20 0.61
ITGA4 P13612 3/20 0.61
PTPN1 P18031 2/20 0.56
ACE P12821 1/20 0.54

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
SCHEMBL7330647 1.00 ITGB3 (0.74) ITGB3ITGA2BITGB1ITGA4PTPN1
SCHEMBL6685168 0.96 ITGB3 (0.79) ITGB3ITGA2BITGB1ITGA4PTPN1
SCHEMBL6998950 0.96 ITGB3 (0.79) ITGB3ITGA2BITGB1ITGA4PTPN1
SCHEMBL7331771 0.90 ITGB3 (0.61) ITGB3ITGA2BITGB1ITGA4
SCHEMBL13411216 0.90 ITGB3 (0.61) ITGB3ITGA2BITGB1ITGA4
SCHEMBL7330526 0.90 ITGB3 (0.61) ITGB3ITGA2BITGB1ITGA4
SCHEMBL18764418 0.88 ITGB3 (0.78) ITGB3ITGA2BITGA4PTPN1ACE
SCHEMBL23302993 0.87 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACE
SCHEMBL23302994 0.87 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACE
SCHEMBL7300335 0.87 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACE

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-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed