SCHEMBL7144399

SCHEMBL7144399

CC(C)(C)c1cc(C(=O)CC(C(=O)c2cc(C(C)(C)C)c3c(c2)C(C)(C)CCO3)C(C)(C)O)cc2c1OCCC2(C)C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 19/20 0.60
ALOX5 P09917 9/20 0.50

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
SCHEMBL7161473 0.82 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL3582386 0.77 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL7139884 0.77 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3584479 0.76 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL3589022 0.76 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL7141533 0.75 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL3592610 0.74 PTGS2 (0.60) PTGS2PTGS1ALOX5
SCHEMBL3580212 0.71 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL15726921 0.70 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL4611762 0.69 PTGS2 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed