SCHEMBL31602010

SCHEMBL31602010

CCCC(CC)COCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL31602035 0.96 CYP3A4 (0.51) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL31602026 0.94 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL15761343 0.92 CYP3A4 (0.51) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL31602060 0.92 CYP3A4 (0.44) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL3684245 0.90 CYP3A4 (0.68) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL31602117 0.89 CYP3A4 (0.61) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL31601955 0.88 TSHR (0.45) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL2368133 0.88 CYP3A4 (0.48) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL31601934 0.87 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL5994239 0.87 CYP3A4 (0.59) CYP3A4MMP9MMP8MMP14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120065654-A Aqueous developer composition for flexographic printing plate and method for producing flexographic printing plate 旭化成株式会社 2025-05-30 CN disclosed