SCHEMBL9465353

SCHEMBL9465353

COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccco2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.66
ALOX5 P09917 2/20 0.66
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
PTGS1 P23219 1/20 0.47
CCKAR P32238 12/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPA1 P27694 1/20 0.40

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
SCHEMBL9520508 0.81 ALOX5 (0.83) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9465718 0.80 PTGS2 (0.66) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL75441 0.80 PTGS2 (1.00) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519062 0.80 PTGS2 (0.81) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL9519652 0.79 PTGS2 (0.98) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9466052 0.78 PTGS2 (0.72) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL1984665 0.76 RPA1 (0.68) PTGS2PTGS1KDM4EALDH1A1MAPT
Formic Acid SCHEMBL9466099 0.76 ALOX5 (0.66) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL1999172 0.76 PTGS1 (0.56) PTGS2PTGS1KDM4EALDH1A1MAPT
SCHEMBL6494672 0.76 RPA1 (0.54) PTGS2PTGS1KDM4EALDH1A1MAPT

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
US-5242940-A Antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-07 US disclosed