SCHEMBL8492829

SCHEMBL8492829

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8490719 0.95 ALOX5 (0.46) ALOX5KDM4ENPC1RAB9AHSD17B10
SCHEMBL8490807 0.94 KDM4E (0.47) KDM4ENPC1RAB9AHSD17B10
SCHEMBL8493760 0.93 KDM4E (0.46) KDM4ENPC1RAB9AHSD17B10
SCHEMBL8495860 0.92 ALOX5 (0.46) ALOX5
SCHEMBL8495896 0.91 KDM4E (0.46) KDM4ENPC1RAB9AHSD17B10
SCHEMBL8494853 0.90 NQO1 (0.44) ALOX5
SCHEMBL8493220 0.90 ALOX5 (0.43) ALOX5
SCHEMBL8493644 0.90 PPARG (0.44) KDM4ENPC1RAB9AHSD17B10
SCHEMBL8491349 0.89 ALOX5 (0.47) ALOX5
SCHEMBL8490929 0.89 ALOX5 (0.50) ALOX5

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