SCHEMBL15313678

SCHEMBL15313678

CCCCCCCCCCC(=O)c1cc(Cc2ccccc2)c(O)c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.53
PTPN1 P18031 2/20 0.46
HTT P42858 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
EPHX2 P34913 1/20 0.45
FFAR1 O14842 1/20 0.44
PLA2G2A P14555 1/20 0.44
PLA2G5 P39877 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
THRA P10827 1/20 0.44

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
SCHEMBL7775778 0.87 PLA2G2A (0.53) HTTFFAR1PLA2G2APLA2G5CES2
SCHEMBL7773832 0.87 PLA2G2A (0.53) HTTFFAR1PLA2G2APLA2G5CES2
SCHEMBL7773963 0.87 PLA2G2A (0.53) HTTFFAR1PLA2G2APLA2G5CES2
SCHEMBL9468226 0.87 PLA2G2A (0.53) HTTFFAR1PLA2G2APLA2G5CES2
SCHEMBL9636706 0.86 HTT (0.43) BCL2HTTFFAR1PLA2G2APLA2G5
SCHEMBL7773975 0.86 HTT (0.51) HTTFFAR1PLA2G2APLA2G5MEN1
SCHEMBL15314345 0.83 BCL2 (0.61) BCL2PTPN1PTPN2PTPN6
SCHEMBL15313677 0.77 CNR1 (0.48) BCL2HTTMEN1MAPTKMT2A
SCHEMBL28707306 0.77 PTPN1 (0.73) BCL2PTPN1PTPN2PTPN6
SCHEMBL10360259 0.75 THRA (0.46) HTTEPHX2MEN1ALDH1A1KMT2A

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
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed