SCHEMBL7690977

SCHEMBL7690977

CCCCCC([O])c1cccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.40
PPARA Q07869 3/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7694470 0.95 PPARG (0.36) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL7692449 0.89 PPARG (0.38) PPARGPPARAKMT2AKDM4EALDH1A1
SCHEMBL2104678 0.86 CYP2C9 (0.47) KMT2AKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL15353192 0.84 KDM4E (0.47) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL15352972 0.84 KDM4E (0.47) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL27715914 0.83 CYSLTR2 (0.42) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL22288177 0.83 KMT2A (0.38) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL7691846 0.82 ALDH1A1 (0.40) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL11379720 0.82 CYSLTR2 (0.41) PPARGPPARAMAPTKMT2AKDM4E
SCHEMBL1610202 0.82 PPARG (0.35) PPARGPPARAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed