SCHEMBL8495494

SCHEMBL8495494

CCCCCCCCCCOc1ccc2c(OC(=O)c3ccccc3)c(OC(C)C)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
MAPT P10636 1/20 0.46
NPBWR1 P48145 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
HCRTR1 O43613 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
SLC10A1 Q14973 1/20 0.44
CA9 Q16790 1/20 0.43

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
SCHEMBL8497196 0.96 KDM4E (0.51) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8492449 0.94 KDM4E (0.51) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8495779 0.92 KDM4E (0.53) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8494040 0.92 KDM4E (0.51) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8496644 0.91 KDM4E (0.52) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8490418 0.89 KDM4E (0.52) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8490164 0.89 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8493164 0.89 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8495080 0.88 MAOA (0.52) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL8489785 0.88 KDM4E (0.49) KMT2AKDM4EALDH1A1GAAGLA

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