SCHEMBL17860363

SCHEMBL17860363

Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4Cc5ccccc5C4)O[C@H]2CO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.68
▸ PLCG1 P19174 4/20 0.64
▸ PLCB3 Q01970 4/20 0.64
▸ CASP6 P55212 1/20 0.58
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17860453 0.94 PAX8 (0.73) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860371 0.94 PAX8 (0.67) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860297 0.93 PAX8 (0.72) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860394 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860468 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL16984262 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL16980367 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MAPT
SCHEMBL16980396 0.92 PAX8 (0.66) PAX8PLCG1PLCB3CASP6
SCHEMBL17860368 0.92 PAX8 (0.64) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860317 0.91 PAX8 (0.64) PAX8PLCG1PLCB3CASP6RAB9A

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
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