SCHEMBL30002878

SCHEMBL30002878

CCC(NC)C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.51
NR4A2 P43354 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL30001520 1.00 NPC1 (0.53) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL30002267 0.88 GID4 (0.59) NPC1RAB9AMAOBMAOASMN1; SMN2
SCHEMBL30002836 0.88 GID4 (0.59) NPC1RAB9AMAOBMAOASMN1; SMN2
SCHEMBL31441380 0.85 MME (0.54) MAOBFFAR1PPARAADAMTS5MMP2
SCHEMBL30002279 0.83 GAA (0.52) NPC1RAB9A
SCHEMBL21696783 0.78 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL9518560 0.76 NPC1 (0.53) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL7395329 0.76 NPC1 (0.53) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL30002045 0.74 MME (0.53) MAOBFFAR1PPARAADAMTS5MMP2
SCHEMBL8433399 0.74 NPC1 (0.57) NPC1RAB9AMAOBMAOANR4A2

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-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed