SCHEMBL8494010

SCHEMBL8494010

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS2 P35354 3/20 0.40
PRKCA P17252 4/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL8495859 0.96 KDM4E (0.42) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8495846 0.93 PPARG (0.40) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8494039 0.93 PPARG (0.40) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8490807 0.91 KDM4E (0.47) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8497286 0.91 PPARG (0.40) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8494895 0.91 PPARG (0.40) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8493760 0.90 KDM4E (0.46) KDM4ENPC1RAB9AHSD17B10PPARG
SCHEMBL8494105 0.90 CYP2A6 (0.40) ALOX5
SCHEMBL8493352 0.90 ALOX5 (0.39) ALOX5
SCHEMBL8496251 0.88 ALOX5 (0.44) 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