SCHEMBL8490929

SCHEMBL8490929

CCCCCCCCCCOc1c(OC)c(=O)oc2cccc(OC)c12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
NQO1 P15559 1/20 0.47

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
SCHEMBL8490394 0.96 ALOX5 (0.48) ALOX5NQO1
SCHEMBL8491349 0.95 ALOX5 (0.47) ALOX5
SCHEMBL8497005 0.95 ALOX5 (0.50) ALOX5NQO1
SCHEMBL8491534 0.90 ALOX5 (0.47) ALOX5
SCHEMBL8494770 0.89 ALOX5 (0.44) ALOX5
SCHEMBL8496251 0.89 ALOX5 (0.44) ALOX5NQO1
SCHEMBL8490300 0.89 ALOX5 (0.44) ALOX5
SCHEMBL8492829 0.89 ALOX5 (0.46) ALOX5
SCHEMBL8495860 0.88 ALOX5 (0.46) ALOX5NQO1
SCHEMBL8494531 0.88 NQO1 (0.54) ALOX5NQO1

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-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed