SCHEMBL10913635

SCHEMBL10913635

CC(=O)/C(=N/OCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 5/20 0.44
CA12 O43570 1/20 0.43
NR4A2 P43354 2/20 0.42
CTBP2 P56545 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
PTBP1 P26599 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL10913642 1.00 S1PR1 (0.47) S1PR1PPARGPPARAMAOBCA12
SCHEMBL11079334 0.86 S1PR1 (0.46) S1PR1MAOBCTBP2POLBHRH3
SCHEMBL11079338 0.86 S1PR1 (0.46) S1PR1MAOBCTBP2POLBHRH3
SCHEMBL10543888 0.85 ALDH1A1 (0.50) S1PR1PPARGPPARAMAOBLMNA
SCHEMBL10543906 0.85 ALDH1A1 (0.50) S1PR1PPARGPPARAMAOBLMNA
SCHEMBL10543899 0.85 ALDH1A1 (0.50) S1PR1PPARGPPARAMAOBLMNA
SCHEMBL10831514 0.82 KDM4E (0.46) S1PR1PPARGPPARAMAOBCA12
SCHEMBL10831510 0.82 KDM4E (0.46) S1PR1PPARGPPARAMAOBCA12
SCHEMBL11325721 0.82 S1PR1 (0.44) S1PR1PPARGPPARAMAOBCA12
SCHEMBL16202052 0.78 SMN1; SMN2 (0.47) S1PR1PPARGPPARAMAOBCA12

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-4598147-A THIAZOLE INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-01 US disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 US disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 EP disclosed