SCHEMBL17860358

SCHEMBL17860358

CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 5/20 0.65
CASP6 P55212 2/20 0.62
PLCG1 P19174 4/20 0.60
PLCB3 Q01970 4/20 0.60
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 2/20 0.34
RIPK1 Q13546 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17860360 0.91 PAX8 (0.67) PAX8CASP6PLCG1PLCB3MALT1
SCHEMBL17860317 0.91 PAX8 (0.64) PAX8CASP6PLCG1PLCB3MEN1
SCHEMBL16980371 0.91 PAX8 (0.62) PAX8CASP6PLCG1PLCB3MALT1
SCHEMBL17860363 0.90 PAX8 (0.68) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860365 0.90 PAX8 (0.63) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860453 0.90 PAX8 (0.73) PAX8CASP6PLCG1PLCB3MALT1
SCHEMBL17860516 0.90 PAX8 (0.65) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860371 0.90 PAX8 (0.67) PAX8CASP6PLCG1PLCB3
SCHEMBL17860297 0.89 PAX8 (0.72) PAX8CASP6PLCG1PLCB3MEN1
SCHEMBL17860392 0.89 PAX8 (0.58) PAX8CASP6PLCG1PLCB3CHRNB4

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