SCHEMBL24388705

SCHEMBL24388705

CC1(c2ccccc2)OC1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR35 Q9HC97 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HPGD P15428 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL1067668 0.75 PIM1 (0.34) TSHR
SCHEMBL11720715 0.74 PTGS1 (0.33) ALDH1A1LMNAMMP2MMP9TSHR
SCHEMBL28366383 0.72 CHRNB2 (0.39) CYP3A4MAPK1ALDH1A1LMNAGAA
SCHEMBL2763761 0.72 CHRNB2 (0.39) CYP3A4MAPK1ALDH1A1LMNAGAA
SCHEMBL2763759 0.72 CHRNB2 (0.39) CYP3A4MAPK1ALDH1A1LMNAGAA
SCHEMBL7107611 0.67 CHRM2 (0.40) CYP3A4MAPK1
SCHEMBL3973022 0.67 CHRM2 (0.40) CYP3A4MAPK1
SCHEMBL30046507 0.65 CYP3A4 (0.37) CYP3A4MAPK1ALDH1A1LMNAGAA
SCHEMBL10811427 0.64 CHRNB2 (0.32) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2234611 0.64 CRHBP (0.44) CYP3A4MAPK1HCAR3HCAR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed