SCHEMBL9465718

SCHEMBL9465718

COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2cccs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.66
ALOX5 P09917 1/20 0.66
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 1/20 0.46
CCKAR P32238 9/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9466052 0.82 PTGS2 (0.72) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9520508 0.81 ALOX5 (0.83) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9465353 0.80 PTGS2 (0.66) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519062 0.80 PTGS2 (0.81) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL75441 0.80 PTGS2 (1.00) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL9519652 0.79 PTGS2 (0.98) PTGS2ALOX5RXRARXRBRXRG
Formic Acid SCHEMBL9466099 0.76 ALOX5 (0.66) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL28256087 0.74 ALOX5 (0.87) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL14445469 0.74 ALOX5 (0.66) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519454 0.73 ALOX5 (0.79) PTGS2ALOX5RXRARXRBRXRG

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