SCHEMBL28512355

SCHEMBL28512355

CCOS(=O)(=O)c1ccc(C)cc1OCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
RORC P51449 15/20 0.39
IL17A Q16552 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
XDH P47989 1/20 0.37
DHFR P00374 1/20 0.37
DCPS Q96C86 1/20 0.37

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
SCHEMBL29142433 0.88 TSHR (0.46) SCN9AMEN1KMT2ATSHR
SCHEMBL28513653 0.83 SYK (0.51) RORCMEN1KMT2ATSHR
SCHEMBL21815478 0.79 MEN1 (0.47) MEN1KMT2ATSHR
SCHEMBL3918082 0.78 ALDH1A1 (0.38) MEN1KMT2ATSHR
SCHEMBL27208962 0.76 MAPT (0.40) MEN1KMT2ATSHR
SCHEMBL28941585 0.75 SCN9A (0.38) SCN9AMEN1KMT2ATSHR
SCHEMBL10196592 0.74 ACHE (0.49) MEN1KMT2AXDH
SCHEMBL20206745 0.74 GRM2 (0.47) SCN9ARORCDHFRDCPS
SCHEMBL28536772 0.74 L3MBTL1 (0.38) MEN1KMT2ATSHR
SCHEMBL3649899 0.73 MCOLN3 (0.50) MEN1KMT2ATSHR

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