SCHEMBL11116008

SCHEMBL11116008

CCSCC(N)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 14/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP4 P27487 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 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
SCHEMBL11116004 1.00 DPP7 (0.40) DPP7DPP8DPP4MEN1KMT2A
SCHEMBL11111088 0.98 DPP7 (0.39) DPP7DPP8DPP4L3MBTL1ALDH1A1
SCHEMBL11111091 0.98 DPP7 (0.39) DPP7DPP8DPP4L3MBTL1ALDH1A1
SCHEMBL11111627 0.95 DPP7 (0.36) DPP7DPP8DPP4ALDH1A1SMN1; SMN2
SCHEMBL11111624 0.95 DPP7 (0.36) DPP7DPP8DPP4ALDH1A1SMN1; SMN2
SCHEMBL4706650 0.83 CYP3A4 (0.43) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11116329 0.82 DPP7 (0.40) DPP7DPP8DPP4
SCHEMBL15853681 0.82 DPP7 (0.43) DPP7DPP8DPP4ALDH1A1
SCHEMBL11116325 0.82 DPP7 (0.40) DPP7DPP8DPP4
SCHEMBL8975358 0.82 DPP7 (0.43) DPP7DPP8DPP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051682-B1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-09-05 EP disclosed
US-4440788-A REGENERATION OF LIVER CELLS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
EP-0051682-A1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP disclosed