SCHEMBL9717451

SCHEMBL9717451

O=C(O)CCCNC(=O)c1ccc(C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.85
CA1 P00915 3/20 0.73
CA2 P00918 3/20 0.73
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
FABP4 P15090 1/20 0.66
EPHX2 P34913 1/20 0.63
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
PPARG P37231 1/20 0.57
MAPK8 P45983 1/20 0.57
POLB P06746 1/20 0.56
FOLH1 Q04609 1/20 0.56

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
SCHEMBL23794423 0.93 MAPK1 (0.74) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL2033165 0.92 MAPK1 (0.73) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL428355 0.92 MAPK1 (1.00) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL7735007 0.91 MAPK1 (0.72) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL6263089 0.91 MAPK1 (0.72) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL11321936 0.91 MAPK1 (0.72) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL11529762 0.89 PPARG (0.72) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL13760117 0.88 PPARA (0.70) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL7742564 0.88 MAPK1 (0.68) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL28745524 0.88 MAPK1 (0.68) MAPK1CA1CA2CYP1A2CYP2C9

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-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed