SCHEMBL11082669

SCHEMBL11082669

CC(C)(C)OC(=O)CNc1cccc([C@@H](N)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ CASR P41180 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PTPRC P08575 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ VSIR Q9H7M9 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GRM8 O00222 1/20 0.35

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
SCHEMBL11082666 1.00 FPR3 (0.40) FPR3FPR2SLC7A5CASRCA12
SCHEMBL6372575 0.84 CASR (0.39) FPR3FPR2CASRCA12CA1
SCHEMBL6372571 0.84 CASR (0.39) FPR3FPR2CASRCA12CA1
SCHEMBL11090585 0.81 HDAC1 (0.45) CASRCA12CA1CA2CA9
SCHEMBL11090583 0.81 HDAC1 (0.45) CASRCA12CA1CA2CA9
SCHEMBL11090579 0.81 HDAC1 (0.45) CASRCA12CA1CA2CA9
SCHEMBL4119738 0.79 ALDH1A1 (0.47) FPR3FPR2CA12CA1CA2
SCHEMBL11088028 0.78 AKR1C3 (0.47) FPR3FPR2SLC7A5CASRCA12
SCHEMBL303932 0.78 PKM (0.46) CA12CA1PTPRCL3MBTL1MAPT
SCHEMBL4490577 0.78 AKR1C3 (0.60) CASRCA12CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464366-A Cephem compounds having a terminal aminocarboxylic acid grouping and containing an azacyclyl(thio)ureido group CIBA GEIGY CORPORATION (US) 1984-08-07 — — US disclosed
EP-0031794-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-07-08 — — EP disclosed
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