SCHEMBL4613697

SCHEMBL4613697

CCCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 19/20 0.93
ALOX5 P09917 8/20 0.93

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
SCHEMBL4611907 0.96 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4612949 0.91 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4614280 0.86 PTGS2 (0.81) PTGS2PTGS1ALOX5
SCHEMBL441830 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4612538 0.82 PTGS2 (0.77) PTGS2PTGS1ALOX5
SCHEMBL4612116 0.82 PTGS2 (0.74) PTGS2PTGS1ALOX5
SCHEMBL4613560 0.81 PTGS2 (0.75) PTGS2PTGS1ALOX5
SCHEMBL4611762 0.81 PTGS2 (0.83) PTGS2PTGS1ALOX5
SCHEMBL4612408 0.80 PTGS2 (0.77) PTGS2PTGS1ALOX5
SCHEMBL4613406 0.80 PTGS2 (0.73) PTGS2PTGS1ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773939-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2008-02-06 EP disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed