SCHEMBL19805992

SCHEMBL19805992

COc1ccc(Cn2cc(-c3cc(C(F)(F)F)nc(SCCCC=O)n3)ccc2=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SDHB P21912 13/20 0.63
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
BRCA1 P38398 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL22912217 0.91 SDHB (0.69) SDHBMAPTTP53POLB
SCHEMBL19805828 0.90 SDHB (0.70) SDHBMAPTTP53POLB
SCHEMBL19805969 0.90 SDHB (0.70) SDHBMAPTTP53POLBKDM4E
SCHEMBL22912222 0.89 SDHB (0.71) SDHBMAPTTP53POLB
SCHEMBL19805739 0.89 SDHB (0.64) SDHBMAPTTP53POLBKDM4E
SCHEMBL22912195 0.89 SDHB (0.63) SDHBMAPTTP53POLBKDM4E
SCHEMBL19805906 0.88 SDHB (0.71) SDHBMAPTTP53POLBKDM4E
SCHEMBL19805824 0.86 SDHB (0.73) SDHBMAPTTP53POLBKDM4E
SCHEMBL30526113 0.85 SDHB (0.69) SDHBMAPTKDM4EALDH1A1HPGD
SCHEMBL19806068 0.85 SDHB (0.69) SDHBMAPTKDM4EALDH1A1HPGD

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-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed