SCHEMBL17860297

SCHEMBL17860297

Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4Cc5ccccc5C4)O[C@H]2CO3)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 4/20 0.72
▸ PLCG1 P19174 4/20 0.63
▸ PLCB3 Q01970 4/20 0.63
▸ CASP6 P55212 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CSNK1A1 P48729 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL17860363 0.93 PAX8 (0.68) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860449 0.92 PAX8 (0.84) PAX8PLCG1PLCB3CASP6HPGD
SCHEMBL17860462 0.92 PAX8 (0.71) PAX8PLCG1PLCB3CASP6KDM4E
SCHEMBL17860372 0.91 PAX8 (0.69) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860362 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860464 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860371 0.89 PAX8 (0.67) PAX8PLCG1PLCB3CASP6MAPK14
SCHEMBL17860453 0.89 PAX8 (0.73) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860317 0.89 PAX8 (0.64) PAX8PLCG1PLCB3CASP6ALDH1A1
SCHEMBL17860358 0.89 PAX8 (0.65) PAX8PLCG1PLCB3CASP6ALDH1A1

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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