SCHEMBL17860372

SCHEMBL17860372

COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4Cc5ccccc5C4)O[C@H]2CO3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.69
PLCG1 P19174 4/20 0.60
PLCB3 Q01970 4/20 0.60
CASP6 P55212 1/20 0.55
ROCK2 O75116 1/20 0.42
MEN1 O00255 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL17860394 0.93 PAX8 (0.65) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860297 0.91 PAX8 (0.72) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860462 0.90 PAX8 (0.71) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860449 0.90 PAX8 (0.84) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860464 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860362 0.89 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860363 0.88 PAX8 (0.68) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860453 0.88 PAX8 (0.73) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860371 0.88 PAX8 (0.67) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL16980371 0.87 PAX8 (0.62) PAX8PLCG1PLCB3CASP6KDM4E

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-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed