SCHEMBL11079338

SCHEMBL11079338

CC(=O)C(=NOCc1ccc(C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
MAOB P27338 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CTBP2 P56545 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AGXT P21549 2/20 0.39
PARP10 Q53GL7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11079334 1.00 S1PR1 (0.46) S1PR1MAOBL3MBTL1MAPTPOLB
SCHEMBL10543888 0.87 ALDH1A1 (0.50) S1PR1MAOBL3MBTL1NPC1RAB9A
SCHEMBL10543899 0.87 ALDH1A1 (0.50) S1PR1MAOBL3MBTL1NPC1RAB9A
SCHEMBL10543906 0.87 ALDH1A1 (0.50) S1PR1MAOBL3MBTL1NPC1RAB9A
SCHEMBL10913642 0.86 S1PR1 (0.47) S1PR1MAOBPOLBCTBP2HRH3
SCHEMBL10913635 0.86 S1PR1 (0.47) S1PR1MAOBPOLBCTBP2HRH3
SCHEMBL10910012 0.83 GAA (0.43) S1PR1MAOBL3MBTL1MAPTPOLB
SCHEMBL10910009 0.83 GAA (0.43) S1PR1MAOBL3MBTL1MAPTPOLB
SCHEMBL2755830 0.77 L3MBTL1 (0.50) S1PR1MAOBL3MBTL1MAPTPOLB
SCHEMBL5597204 0.75 ALDH1A1 (0.47) L3MBTL1CTBP2NPC1RAB9ASMN1; SMN2

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-0007633-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 EP disclosed