SCHEMBL10449482

SCHEMBL10449482

COc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.63
PTPN1 P18031 3/20 0.62
LDHA P00338 1/20 0.59
ACE P12821 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 1/20 0.55
HCRTR2 O43614 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
GPR132 Q9UNW8 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL8412092 1.00 FPR2 (0.63) FPR2PTPN1LDHAACESMN1; SMN2
SCHEMBL7814592 1.00 FPR2 (0.63) FPR2PTPN1LDHAACESMN1; SMN2
SCHEMBL10465688 0.91 ACE (0.57) FPR2PTPN1LDHAACESMN1; SMN2
SCHEMBL11828913 0.90 PTPN1 (0.60) FPR2PTPN1ACEHCRTR2GPR132
SCHEMBL7824676 0.90 PTPN1 (0.60) FPR2PTPN1ACEHCRTR2GPR132
SCHEMBL11320091 0.90 PTPN1 (0.60) FPR2PTPN1ACEHCRTR2GPR132
SCHEMBL3884012 0.88 ACE (0.55) FPR2PTPN1LDHAACESMN1; SMN2
SCHEMBL11862343 0.85 CCR5 (0.55) FPR2PTPN1ACEHPGDGPR132
SCHEMBL10807099 0.85 ACE (0.55) PTPN1ACEGPR132ITGB3ITGA2B
SCHEMBL321226 0.84 FPR2 (0.57) FPR2PTPN1KMT2AHCRTR2ALDH1A1

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-0351382-A2 Process for the synthesis of optically active aminoacids MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-01-17 EP disclosed