SCHEMBL30419781

SCHEMBL30419781

CCC(C(=O)c1ccc(C)cc1)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
GSK3B P49841 1/20 0.55
AKR1C3 P42330 1/20 0.54
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.50
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3453765 0.83 NPC1 (0.52) NPC1RAB9ATP53PKMMAPK1
SCHEMBL22721391 0.82 GSK3B (0.56) NPC1RAB9ATP53PKMMAPK1
SCHEMBL28543600 0.81 HIF1A (0.56) NPC1RAB9ATP53PKMMAPK1
SCHEMBL20543169 0.81 GSK3B (0.55) NPC1RAB9ATP53PKMMAPK1
SCHEMBL28720693 0.81 GSK3B (0.55) NPC1RAB9ATP53PKMMAPK1
Dimethylamine SCHEMBL20534296 0.80 NPC1 (0.52) NPC1RAB9ATP53PKMMAPK1
SCHEMBL307839 0.80 GSK3B (0.54) NPC1RAB9ATP53PKMMAPK1
SCHEMBL3380393 0.80 GSK3B (0.57) NPC1RAB9ATP53PKMMAPK1
SCHEMBL28810975 0.79 HIF1A (0.57) NPC1RAB9ATP53PKMMAPK1
SCHEMBL23610466 0.78 NPC1 (0.46) NPC1RAB9ATP53PKMMAPK1

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
CN-114207057-B Photocurable discharge ink and method for producing three-dimensional molded article 株式会社御牧工程 2023-06-30 CN disclosed