SCHEMBL17860449

SCHEMBL17860449

CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 7/20 0.84
PLCG1 P19174 4/20 0.62
PLCB3 Q01970 4/20 0.62
CASP6 P55212 1/20 0.56
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
ACKR3 P25106 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR2 P41597 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
SCHEMBL17860453 0.93 PAX8 (0.73) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860297 0.92 PAX8 (0.72) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860462 0.92 PAX8 (0.71) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860372 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860464 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860362 0.90 PAX8 (0.69) PAX8PLCG1PLCB3CASP6
SCHEMBL17860363 0.89 PAX8 (0.68) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860371 0.89 PAX8 (0.67) PAX8PLCG1PLCB3CASP6ROCK2
SCHEMBL17860360 0.89 PAX8 (0.67) PAX8PLCG1PLCB3CASP6RAB9A
SCHEMBL17860358 0.88 PAX8 (0.65) PAX8PLCG1PLCB3CASP6

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