SCHEMBL21062091

SCHEMBL21062091

Cc1ccc(C[C@@H](C=O)CCc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 8/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.43
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 1/20 0.41
ACACB O00763 1/20 0.41
LMNA P02545 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10327471 0.82 CYP2A6 (0.41) L3MBTL1ALDH1A1MEN1KMT2ATP53
SCHEMBL17294124 0.79 GAA (0.44) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL23880807 0.79 NPC1 (0.50) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL5527912 0.76 ACACB (0.51) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL8160960 0.75 MAPT (0.43) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL21062042 0.75 MAPT (0.43) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL15710117 0.74 GAA (0.57) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL12400784 0.74 CYP2A6 (0.45) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL21593844 0.73 ALDH1A1 (0.51) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL82183 0.72 MAPT (0.67) NPC1RAB9AGAAL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724280-A1 COMPOSITIONS AND METHODS FOR HIGH-TEMPERATURE JETTING OF VISCOUS THERMOSETS TO CREATE SOLID ARTICLES VIA ADDITIVE FABRICATION DSM IP Assets B.V. (NL) 2020-10-21 EP disclosed
WO-2019117723-A1 COMPOSITIONS AND METHODS FOR HIGH-TEMPERATURE JETTING OF VISCOUS THERMOSETS TO CREATE SOLID ARTICLES VIA ADDITIVE FABRICATION DSM IP ASSETS B.V. (NL) 2019-06-20 WO disclosed