SCHEMBL25540260

SCHEMBL25540260

CCN1CCCC1C(C)OC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.31
KCNK3 O14649 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL25793427 0.88
SCHEMBL27868590 0.82 GBA2 (0.37) CHRNB4CHRNA3DRD2
SCHEMBL22020867 0.81 L3MBTL1 (0.33) L3MBTL1HTT
SCHEMBL24760964 0.80 L3MBTL1 (0.34) L3MBTL1HTTCHRNB4CHRNA3
SCHEMBL12299850 0.79 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1
SCHEMBL12658782 0.79 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1
SCHEMBL12658780 0.79 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1
SCHEMBL25543298 0.79 CHRNB4 (0.30) CHRNB4CHRNA3
SCHEMBL20440714 0.79 CHRNB4 (0.31) CHRNB4CHRNA3
SCHEMBL2115341 0.78 GBA1 (0.35) CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 WO disclosed
CN-107074890-B Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2019-09-24 CN disclosed
CN-107074890-A Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2017-08-18 CN disclosed
CN-103124736-A Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH 2013-05-29 CN disclosed
CN-102652138-A Compounds with (perfluoralkyl)fluoro-hydrogenphosphate anions MERCK PATENT GMBH 2012-08-29 CN disclosed