SCHEMBL31591746

SCHEMBL31591746

CCCCCCC(SCc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.60
CSNK1E P49674 1/20 0.47
CNR2 P34972 1/20 0.46
EPHX2 P34913 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR2 O60603 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
SCHEMBL2589952 0.88 HSD17B10 (0.53) EPHX1CSNK1ECNR2EPHX2PTGES
SCHEMBL1585161 0.88 HSD17B10 (0.53) EPHX1CSNK1ECNR2EPHX2PTGES
SCHEMBL3875190 0.82 HSD17B10 (0.59) EPHX1CNR2PTGESALOX5PPARG
SCHEMBL9107162 0.77 MMP2 (0.47) CNR2EPHX2
SCHEMBL10781728 0.77 EPHX1 (0.51) EPHX1MEN1KMT2AALDH1A1
SCHEMBL8524842 0.76 EPHX1 (0.50) EPHX1
SCHEMBL9107156 0.75 CNR2 (0.47) CSNK1ECNR2PTGESALOX5PPARG
SCHEMBL11770018 0.75 CYP2C19 (0.50) EPHX1PTGESALOX5PPARGALDH1A1
SCHEMBL9860473 0.75 EPHX1 (0.62) EPHX1HSD17B10
SCHEMBL22558568 0.75 CSNK1E (0.57) CSNK1E

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-116284784-B Preparation method of recyclable orthogonal dynamic covalent fluorescent polymer material 华东理工大学 2025-05-27 CN claimed
CN-116284784-B Preparation method of recyclable orthogonal dynamic covalent fluorescent polymer material 华东理工大学 2025-05-27 CN disclosed