SCHEMBL157240

SCHEMBL157240

CC(C)(N)C(=O)O.CC(N)(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
GGT1 P19440 1/20 0.39
GRM2 Q14416 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
BLM P54132 1/20 0.33
FDPS P14324 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.32

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
SCHEMBL29956233 0.93
SCHEMBL11256487 0.93
SCHEMBL455386 0.93 ALDH1A1 (0.53) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL93580 0.93
SCHEMBL31421734 0.93
SCHEMBL23312 0.93
SCHEMBL15820259 0.89
Water SCHEMBL11216754 0.89
Hydrochloric Acid SCHEMBL1291178 0.89
Hydrochloric Acid SCHEMBL159297 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065137-A1 THERAPEUTICS FOR TRAUMA INDUCED FACTOR V CONSUMPTIVE COAGULOPATHY JENNY RICHARD (US) 2012-03-15 US disclosed
US-20120034638-A1 Electrochemical assay for the detection of enzymatically active PSA NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION 2012-02-09 US disclosed
WO-2011146143-A2 DETECTION OF CANCER BY ASSAYING PSA ENZYMATIC ACTIVITY OHMX CORPORATION (US) 2011-11-24 WO disclosed
WO-2011146521-A2 A GENERAL MASS SPECTROMETRY ASSAY USING CONTINUOUSLY ELUTING CO-FRACTIONATING REPORTERS OF MASS SPECTROMETRY DETECTION EFFICIENCY THE UAB RESEARCH FOUNDATION (US) 2011-11-24 WO disclosed
US-20110076738-A1 SOLVENT-BORNE POLYMERIC BIOACTIVE COATINGS FOR THE FACILITATED REMOVAL OF BIOORGANIC STAINS Toyota Motor Engineering & Manufacturing North America, Inc (US) 2011-03-31 US disclosed