SCHEMBL8022815

SCHEMBL8022815

Cc1cc(-c2ccc(Oc3ccccc3)cc2)n(-c2ccc(S(C)(=O)=O)c(CO)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.60
▸ ALOX5 P09917 1/20 0.52
▸ BCL2 P10415 2/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL8037140 0.91 PTGS2 (0.61) PTGS2
SCHEMBL8033502 0.89 PTGS2 (0.75) PTGS2ALOX5
SCHEMBL8033132 0.87 PTGS2 (0.81) PTGS2
SCHEMBL8023278 0.81 PTGS2 (0.72) PTGS2ALOX5ALDH1A1HPGD
SCHEMBL8035500 0.80 PTGS2 (0.58) PTGS2ALOX5
SCHEMBL8032930 0.80 PTGS2 (0.75) PTGS2
SCHEMBL8023451 0.77 PTGS2 (0.84) PTGS2
SCHEMBL8037107 0.77 PTGS2 (0.76) PTGS2
SCHEMBL8033665 0.76 PTGS2 (0.81) PTGS2
SCHEMBL8039677 0.76 PTGS2 (0.66) PTGS2

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
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