SCHEMBL11862343

SCHEMBL11862343

CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.55
PTPN1 P18031 5/20 0.54
ACE P12821 2/20 0.53
ITGB3 P05106 2/20 0.50
GPR132 Q9UNW8 1/20 0.50
ITGA2B P08514 1/20 0.50
PTPN2 P17706 1/20 0.50
CDC25B P30305 1/20 0.50
CA2 P00918 4/20 0.49
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA5 P08648 1/20 0.48
CA1 P00915 2/20 0.47
HPGD P15428 1/20 0.47
FPR2 P25090 1/20 0.46

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
SCHEMBL13617041 0.92 KDM4E (0.49) CCR5PTPN1ACEITGB3GPR132
SCHEMBL10807099 0.90 ACE (0.55) PTPN1ACEITGB3GPR132ITGA2B
SCHEMBL1070049 0.88 GPR132 (0.52) GPR132
SCHEMBL11859682 0.87 PTPN1 (0.52) PTPN1ACEITGB3GPR132ITGA2B
SCHEMBL25471843 0.86 ITGB3 (0.49) CCR5ITGB3ITGA2BITGB1FPR2
SCHEMBL11684066 0.86 ALOX15 (0.47) CCR5CA2FPR2
SCHEMBL13617031 0.85 KDM4E (0.51) CCR5ITGB3ITGA2BITGB1HPGD
SCHEMBL7814592 0.85 FPR2 (0.63) PTPN1ACEITGB3GPR132ITGA2B
SCHEMBL8412092 0.85 FPR2 (0.63) PTPN1ACEITGB3GPR132ITGA2B
SCHEMBL10449482 0.85 FPR2 (0.63) PTPN1ACEITGB3GPR132ITGA2B

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-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 US disclosed