SCHEMBL7306740

SCHEMBL7306740

COc1ccc(CC(NC(=O)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.59
KMT2A Q03164 1/20 0.58
LDHA P00338 1/20 0.58
NPSR1 Q6W5P4 2/20 0.56
CA2 P00918 1/20 0.56
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
MMP1 P03956 3/20 0.53
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
ALB P02768 1/20 0.49
IL2 P60568 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL30000376 1.00 FPR2 (0.59) FPR2KMT2ALDHANPSR1CA2
SCHEMBL7306758 1.00 FPR2 (0.59) FPR2KMT2ALDHANPSR1CA2
SCHEMBL28883302 0.89 NPSR1 (0.56) FPR2KMT2ALDHANPSR1MMP1
SCHEMBL29999250 0.88 FPR2 (0.55) FPR2KMT2ALDHANPSR1CA2
SCHEMBL10663117 0.84 LDHA (0.63) FPR2KMT2ALDHACA2ALDH1A1
SCHEMBL6438360 0.84 ITGB3 (0.64) FPR2KMT2ALDHACA2ALDH1A1
SCHEMBL2550705 0.84 FOLH1 (0.61) NPSR1CA2MMEACEACE2
SCHEMBL2550703 0.84 FOLH1 (0.61) NPSR1CA2MMEACEACE2
SCHEMBL4361126 0.84 ITGB3 (0.64) FPR2KMT2ALDHACA2ALDH1A1
SCHEMBL30587429 0.84 ACE (0.59) KMT2ANPSR1MMEACEACE2

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-4508645-A CYCLIC OLIGOPEPTIDE CONTAINING PENICILLAMINE RESIDE CESKOSLOVENSKA AKADEMIE VED (CS) 1985-04-02 US disclosed