SCHEMBL8552635

SCHEMBL8552635

CS(=O)(=O)c1ccccc1-c1ccc(-c2coc(C(=O)O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.43
ENPP3 O14638 2/20 0.42
ENPP1 P22413 2/20 0.42
DAGLA Q9Y4D2 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
ATR Q13535 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38
HSD11B1 P28845 2/20 0.38
CES1 P23141 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
FABP1 P07148 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
SCHEMBL8147535 0.80 RXFP1 (0.47) DAGLAKDM4EALDH1A1POLBATR
SCHEMBL5296166 0.79 DAGLA (0.57) ENPP3ENPP1DAGLAKDM4EALDH1A1
SCHEMBL890515 0.74 PTGS2 (0.49) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL29788178 0.74 PTGS2 (0.49) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL8138559 0.73 PTGS2 (0.47) ENPP3KDM4EALDH1A1MEN1KMT2A
SCHEMBL8658514 0.72 PTGS2 (0.62) EDNRAKDM4EALDH1A1RAB9APTGS2
SCHEMBL29415408 0.72 PTGS2 (0.61) EDNRAKDM4EALDH1A1RAB9AKMT2A
SCHEMBL937206 0.72 PTGS2 (0.61) EDNRAKDM4EALDH1A1RAB9AKMT2A
SCHEMBL8146467 0.71 CA2 (0.53) PTGS2
SCHEMBL8552633 0.70 NR4A2 (0.62) KDM4EALDH1A1RAB9APOLBATR

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed