SCHEMBL9509992

SCHEMBL9509992

NC(CCC(=O)O)C(=O)N1CC1SSC1CN1C(=O)C(N)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.57
DPP9 Q86TI2 7/20 0.57
DPP8 Q6V1X1 6/20 0.57
FAP Q12884 2/20 0.57
DPP7 Q9UHL4 2/20 0.57
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GSR P00390 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
GRIA4 P48058 1/20 0.48

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
SCHEMBL3092661 0.73 DPP4 (1.00) DPP4DPP9DPP8FAPDPP7
SCHEMBL28827157 0.72 ACE (0.71) DPP4DPP9DPP8FAPDPP7
SCHEMBL31540102 0.72 DPP4 (0.66) DPP4DPP9DPP8FAPDPP7
SCHEMBL10219859 0.72 DPP4 (0.51) DPP4DPP9DPP8FAPDPP7
SCHEMBL10779361 0.72 ACE (0.71) DPP4DPP9DPP8FAPDPP7
SCHEMBL30052872 0.72 ACE (0.71) DPP4DPP9DPP8FAPDPP7
SCHEMBL10779357 0.72 ACE (0.71) DPP4DPP9DPP8FAPDPP7
SCHEMBL6475403 0.70 DPP7 (0.53) DPP4DPP9DPP8FAPDPP7
SCHEMBL6475399 0.70 DPP7 (0.53) DPP4DPP9DPP8FAPDPP7
SCHEMBL30266742 0.68 CYP1A2 (0.65) DPP4DPP9DPP8GRM8GRM6

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
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed