SCHEMBL10388482

SCHEMBL10388482

[NH]C(=O)/C(=N/O)c1ccc(OCCC(N)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LTA4H P09960 5/20 0.40
PARP10 Q53GL7 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRM4 Q14833 1/20 0.37
RARB P10826 1/20 0.36
PRSS1 P07477 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL11469942 1.00 MAPK1 (0.43) MAPK1ITGB3ITGA2BLTA4HPARP10
SCHEMBL10332951 1.00 MAPK1 (0.43) MAPK1ITGB3ITGA2BLTA4HPARP10
SCHEMBL11268633 0.89 MAPK1 (0.46) MAPK1ITGB3ITGA2BLTA4HPARP10
SCHEMBL11457731 0.89 MAPK1 (0.46) MAPK1ITGB3ITGA2BLTA4HPARP10
SCHEMBL10332953 0.88 GAA (0.47) MAPK1ITGB3ITGA2BLTA4HPARP10
SCHEMBL23258260 0.84 MAPK1 (0.44) MAPK1ITGB3ITGA2BLTA4HGAA
SCHEMBL10425785 0.82 LTA4H (0.38) LTA4HALDH1A1HSD17B10HTTGRM8
SCHEMBL10333334 0.82 LTA4H (0.38) LTA4HALDH1A1HSD17B10HTTGRM8
SCHEMBL25601140 0.81 MAPK1 (0.41) MAPK1ITGB3ITGA2BLTA4HGAA
SCHEMBL8311458 0.79 MAPK1 (0.43) MAPK1ITGB3ITGA2BLTA4HPARP10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956358-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
US-4203896-A WITH MERCURIC ACETATE AND ACETIC ACID, ACIDIC HYDROLYSIS OF N-PROPENYL GROUP ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4144232-A Substituted azetidin-2-one antibiotics ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed