SCHEMBL28902298

SCHEMBL28902298

COc1cc(C=C2C(C)=C(CNC(=O)Cc3ccco3)c3cc(F)ccc32)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
RXRA P19793 2/20 0.45
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
PTGES O14684 1/20 0.41
AKR1B10 O60218 1/20 0.41
ABCB11 O95342 1/20 0.41
C5 P01031 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1B1 P15121 1/20 0.41
GLRA1 P23415 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL28902296 1.00 PPARG (0.46) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL17819189 0.93 PPARG (0.48) PPARGRXRAMAPTKDM4EALDH1A1
SCHEMBL17819186 0.93 PPARG (0.48) PPARGRXRAMAPTKDM4EALDH1A1
SCHEMBL23036665 0.91 PPARG (0.44) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL23036311 0.91 PPARG (0.44) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL24740963 0.87 LMNA (0.51) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL23036686 0.87 PPARG (0.43) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL23036683 0.87 PPARG (0.43) PPARGRXRAMAPTKMT2AKDM4E
SCHEMBL23036517 0.86 ALDH1A1 (0.41) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL23036515 0.86 ALDH1A1 (0.41) MAPTKMT2AKDM4EALDH1A1LMNA

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
CN-112020354-A Anti-cancer indenes, indanes, aza-indenes, aza-indanes, pharmaceutical compositions and uses ADT制药有限责任公司 2020-12-01 CN claimed