SCHEMBL7398151

SCHEMBL7398151

CC(C)(C)OC(=O)COC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PARP1 P09874 1/20 0.47
PDE4B Q07343 2/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.46
BCL9 O00512 4/20 0.45
CTNNB1 P35222 4/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
USP30 Q70CQ3 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL28809437 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APARP1PDE4B
SCHEMBL18551726 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APARP1PDE4B
SCHEMBL29060009 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APARP1PDE4B
SCHEMBL29060008 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APARP1PDE4B
SCHEMBL21405300 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APARP1PDE4B
SCHEMBL13775378 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL4121758 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL13775377 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL5503589 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL12607067 0.85 PRMT5 (0.56) PRMT5WDR77JAK2JAK1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114846013-A Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-02 CN disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed