SCHEMBL7141533

SCHEMBL7141533

CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCCC2(C)C

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 18/20 1.00
ALOX5 P09917 6/20 0.80

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
SCHEMBL441830 0.89 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4614766 0.81 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL7161473 0.80 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL7139884 0.78 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3582386 0.78 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3589022 0.77 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL3584479 0.77 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL8759729 0.76 PTGS2 (0.73) PTGS2PTGS1ALOX5
SCHEMBL4611907 0.75 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL3592610 0.75 PTGS2 (0.60) 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