SCHEMBL10955656

SCHEMBL10955656

COc1cc(C)c(C(=O)Cc2ccc(F)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 1/20 0.64
LMNA P02545 6/20 0.50
HTT P42858 4/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 1/20 0.48
HIF1A Q16665 2/20 0.47
XBP1 P17861 1/20 0.47
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HSP90AA1 P07900 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
SCHEMBL11812190 0.85 LMNA (0.68) SMN1; SMN2NPC1LMNAHTTMAPT
SCHEMBL10958946 0.85 GAA (0.52) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL10956366 0.81 NPC1 (0.62) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL16323195 0.78 NPC1 (0.80) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL6091917 0.77 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL256855 0.77 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL17852523 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL19602918 0.75 MAPT (0.75) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL11321060 0.74 HMGCR (0.49) SMN1; SMN2HTTMAPTKDM4EGAA
SCHEMBL13284211 0.74 HMGCR (0.68) SMN1; SMN2NPC1RAB9AHTTMAPT

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-4500542-A ADMINISTERING RIBOFLAVIN OR ANALOG ALONG WITH ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed