SCHEMBL19946456

SCHEMBL19946456

CCC[C@@H](NN(C(=O)c1cc(C)cc(C)c1)C(=O)c1ccc2c(c1C)OCCO2)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ABCB1 P08183 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2683389 0.94 TAS1R3 (0.37) ALDH1A1MAPTHPGDTAS1R3TAS1R1
SCHEMBL9903289 0.93 NPC1 (0.35) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL19946432 0.91 ABCB1 (0.34) HSD17B10NPC1RAB9AALDH1A1MAPT
SCHEMBL9101336 0.83 ABCB1 (0.35) HSD17B10NPC1RAB9AALDH1A1MAPT
SCHEMBL5705240 0.81 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL29684859 0.79 ABCB1 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL668634 0.79 ABCB1 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL2683648 0.79 ABCB1 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL9903268 0.79 ALDH1A1 (0.38) HSD17B10NPC1RAB9AALDH1A1MAPT
SCHEMBL18625531 0.78 ABCB1 (0.50) TAS1R3TAS1R1ABCB1

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
EP-2167458-B1 CHIRAL DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2018-03-14 EP disclosed