SCHEMBL8377476

SCHEMBL8377476

CCCCCCCCC(O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
PPARA Q07869 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL10901230 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL28732572 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL11724981 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL11339313 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL3905545 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL29170081 0.98 PPARG (0.47) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL7379765 0.98 PPARG (0.46) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL6313224 0.93 TSHR (0.46) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL30594196 0.89 PPARG (0.43) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL2734713 0.88 ALDH1A1 (0.47) KMT2ATSHRALDH1A1CYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed