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SCHEMBL7653802

SCHEMBL7653802

CC1(C)OC(c2cccc(S(C)(=O)=O)c2)=C(c2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.47
▸ PTGS1 P23219 12/20 0.47
▸ ABCB11 O95342 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MC4R P32245 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
SCHEMBL6995448 0.86 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6996537 0.85 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6999183 0.82 PTGS2 (0.42) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6994338 0.81 PTGS2 (0.45) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6995264 0.81 PTGS2 (0.46) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7001297 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6999749 0.80 PTGS2 (0.40) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6995110 0.80 PTGS2 (0.40) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6992554 0.80 PTGS2 (0.40) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6994742 0.79 PTGS2 (0.53) PTGS2PTGS1

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-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 — — US disclosed