SCHEMBL8380758

SCHEMBL8380758

Cc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 1.00
▸ PTGS1 P23219 6/20 0.79

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
SCHEMBL8376304 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8376294 0.99 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL2736434 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8381684 0.88 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8376333 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8376310 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7502304 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7617977 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6751408 0.81 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL8376292 0.80 PTGS2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826676-A1 OXAZOLE DERIVATIVES AND USE THEREOF Japan Tobacco Inc. (JP) 1998-03-04 — — EP claimed
US-6002014-A SELECTIVELY INHIBITING THE ACTION OF COX-2; TREATING INFLAMMATION JAPAN TOBACCO, INC. (JP) 1999-12-14 — — US disclosed
US-5945539-A ENZYME INHIBITOR JAPAN TOBACCO, INC. (JP) 1999-08-31 — — US disclosed
EP-0826676-A1 OXAZOLE DERIVATIVES AND USE THEREOF Japan Tobacco Inc. (JP) 1998-03-04 — — EP disclosed
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