SCHEMBL28511581

SCHEMBL28511581

C1CCC(OCCOC2CCCOC2)OC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL17888514 0.92 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL28851126 0.86 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15508854 0.84 NPC1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17888644 0.81 MEN1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL23544814 0.80 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL22089860 0.77 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL14608478 0.76 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13934685 0.76 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6714850 0.76 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13455405 0.76 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1

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
CN-112074522-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-26 CN disclosed
CN-112074522-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 CN disclosed