SCHEMBL17860443

SCHEMBL17860443

COCN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 3/20 0.54
▸ PLCG1 P19174 4/20 0.51
▸ PLCB3 Q01970 4/20 0.51
▸ CASP6 P55212 1/20 0.46
▸ APOB P04114 10/20 0.41
▸ MTTP P55157 9/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMO Q99835 3/20 0.38

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
SCHEMBL17860303 0.91 PAX8 (0.55) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL16984262 0.91 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL16980367 0.91 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860468 0.91 PAX8 (0.65) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860396 0.90 PAX8 (0.57) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860401 0.90 PAX8 (0.55) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860411 0.90 PAX8 (0.55) PAX8PLCG1PLCB3CASP6APOB
SCHEMBL17860446 0.88 CASP6 (0.59) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860361 0.88 PLCG1 (0.54) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860308 0.88 PAX8 (0.51) PAX8PLCG1PLCB3CASP6APOB

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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