SCHEMBL16290409

SCHEMBL16290409

N#CC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
DPP4 P27487 11/20 0.40
ALDH1A1 P00352 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
FAP Q12884 1/20 0.37
HSD11B1 P28845 1/20 0.36
PREP P48147 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL14641099 0.84 PGR (0.32) PKM
SCHEMBL16290577 0.80 DPP4 (0.33) PKMDPP4
SCHEMBL11091802 0.78 PKM (0.47) PKMDPP4ALDH1A1DPP8DPP9
SCHEMBL15858211 0.75 PKM (0.64) PKMDPP4ALDH1A1HSD11B1
SCHEMBL15467155 0.75 PKM (0.64) PKMDPP4ALDH1A1HSD11B1
SCHEMBL424418 0.75 PKM (0.64) PKMDPP4ALDH1A1HSD11B1
SCHEMBL1150706 0.75 PKM (0.64) PKMDPP4ALDH1A1HSD11B1
SCHEMBL14791285 0.75 PKM (0.64) PKMDPP4ALDH1A1HSD11B1
SCHEMBL7105940 0.74 THRB (0.38)
SCHEMBL4034053 0.74

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-9540468-B2 Resist copolymer and resist composition MITSUBISHI RAYON CO., LTD. (JP) 2017-01-10 US disclosed
US-20140371412-A1 RESIST COPOLYMER AND RESIST COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 2014-12-18 US disclosed