SCHEMBL11114906

SCHEMBL11114906

CCCCNC(=O)[C@@H](N)CSCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.59
RRM1 P23921 1/20 0.54
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
S1PR2 O95136 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR5 Q9H228 1/20 0.48
TLR2 O60603 12/20 0.47
NOD1 Q9Y239 1/20 0.43

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
Hydrochloric Acid SCHEMBL11110122 0.98 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11109536 0.95 DPP7 (0.67) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11111978 0.93 DPP7 (0.65) DPP7RRM1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL11122478 0.92 DPP7 (0.63) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11114536 0.89 DPP7 (0.49) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL24259720 0.84 TLR2 (0.49) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL18738637 0.83 TLR2 (0.50) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11112359 0.81 DPP7 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL11111559 0.79 DPP7 (0.38) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17167959 0.79 DPP7 (0.76) DPP7RRM1GNAI3GNAO1GNAI1

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