SCHEMBL17860453

SCHEMBL17860453

CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 7/20 0.73
▸ PLCG1 P19174 4/20 0.63
▸ PLCB3 Q01970 4/20 0.63
▸ CASP6 P55212 1/20 0.57
▸ ACKR3 P25106 1/20 0.42
▸ GRM7 Q14831 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ APOB P04114 1/20 0.37
▸ MTTP P55157 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CXCR6 O00574 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35

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 0.94 PAX8 (0.68) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL17860449 0.93 PAX8 (0.84) PAX8PLCG1PLCB3CASP6ACKR3
SCHEMBL17860371 0.93 PAX8 (0.67) PAX8PLCG1PLCB3CASP6
SCHEMBL16980367 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860468 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860394 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL16984262 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860368 0.91 PAX8 (0.64) PAX8PLCG1PLCB3CASP6NPC1
SCHEMBL16980396 0.91 PAX8 (0.66) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860360 0.90 PAX8 (0.67) PAX8PLCG1PLCB3CASP6NPC1

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
Send feedback