SCHEMBL9110125

SCHEMBL9110125

CCCCCCCCCCCCCCCCCCSC(C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
EPHX2 P34913 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CETP P11597 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGS2 P35354 2/20 0.39
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 1/20 0.38
CSNK1E P49674 1/20 0.38

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
SCHEMBL9108789 1.00 MMP1 (0.46) MMP1MMP9MMP13EPHX2PPARG
SCHEMBL10744924 0.87 CETP (0.44) EPHX2PPARGPPARACETPMEN1
SCHEMBL3519133 0.79 HSD17B10 (0.47) PPARGPPARAMEN1KMT2ACES2
SCHEMBL8859589 0.77 MMP1 (0.44) MMP1MMP9MMP13EPHX2PPARG
SCHEMBL9107152 0.77 EPHX2 (0.42) MMP1MMP9MMP13EPHX2PPARG
SCHEMBL8856350 0.76 HSD17B10 (0.44) PPARGPPARAMEN1KMT2ACES2
SCHEMBL28382941 0.76 HSD17B10 (0.44) PPARGPPARAMEN1KMT2ACES2
SCHEMBL9110676 0.76 HSD17B10 (0.44) PPARGPPARAMEN1KMT2ACES2
SCHEMBL9108762 0.76 HSD17B10 (0.44) PPARGPPARAMEN1KMT2ACES2
SCHEMBL9099610 0.76 HSD17B10 (0.44) PPARGPPARAMEN1KMT2ACES2

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
US-8501312-B2 Charging member CANON KABUSHIKI KAISHA (JP) 2013-08-06 US disclosed
US-20120141161-A1 CHARGING MEMBER CANON KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed