SCHEMBL17860409

SCHEMBL17860409

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 8/20 0.75
PLCG1 P19174 4/20 0.65
PLCB3 Q01970 4/20 0.65
CASP6 P55212 1/20 0.59
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ACKR3 P25106 2/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL17860435 0.94 PAX8 (0.67) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860468 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL16980367 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL16984262 0.92 PAX8 (0.65) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860467 0.91 PAX8 (0.68) PAX8PLCG1PLCB3CASP6ACKR3
SCHEMBL17860436 0.90 PLCG1 (0.66) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860327 0.89 CASP6 (0.73) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860347 0.89 PLCG1 (0.66) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860402 0.88 PAX8 (0.62) PAX8PLCG1PLCB3CASP6MEN1
SCHEMBL17860328 0.88 PLCG1 (0.64) PAX8PLCG1PLCB3CASP6MEN1

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