SCHEMBL6130508

SCHEMBL6130508

CC(=O)CN[C@@H](CSSCC(N)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.41
NOS1 P29475 7/20 0.41
NOS3 P29474 5/20 0.41
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL3147730 0.86 ARG1 (0.36) NOS2NOS1NOS3CYP1A2ARG1
SCHEMBL16950254 0.83 NOS2 (0.39) NOS2NOS1NOS3ARG1ARG2
SCHEMBL25455637 0.83 NOS2 (0.39) NOS2NOS1NOS3ARG1ARG2
Hydrochloric Acid SCHEMBL9639751 0.81 NOS2 (0.38) NOS2NOS1NOS3ARG1ARG2
SCHEMBL18130248 0.80 GRIK1 (0.41) NOS2NOS1NOS3ARG1ARG2
N-Monoacetylcystine SCHEMBL20816351 0.79 MAPT (0.48) NOS2NOS1NOS3MEN1CYP2C19
N-Monoacetylcystine SCHEMBL468824 0.79 MAPT (0.48) NOS2NOS1NOS3MEN1CYP2C19
N-Monoacetylcystine SCHEMBL111494 0.79 MAPT (0.48) NOS2NOS1NOS3MEN1CYP2C19
N-Monoacetylcystine SCHEMBL468826 0.79 MAPT (0.48) NOS2NOS1NOS3MEN1CYP2C19
N-Monoacetylcystine SCHEMBL29438781 0.79 MAPT (0.48) NOS2NOS1NOS3MEN1CYP2C19

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
EP-1429712-A4 METHOD FOR TREATING BRONCHIAL CONSTRICTION AND BRONCHOSPASM CELLULAR SCIENCES INC (US) 2005-12-14 EP disclosed
EP-1429712-A2 METHOD FOR TREATING BRONCHIAL CONSTRICTION AND BRONCHOSPASM Cellular Sciences, Inc. (US) 2004-06-23 EP disclosed
US-6623723-B2 Method for treating bronchial constriction and bronchospasm CELLULAR SCIENCES INC. 2003-09-23 US disclosed
WO-2003017929-A2 METHOD FOR TREATING BRONCHIAL CONSTRICTION AND BRONCHOSPASM CELLULAR SCIENCES, INC. (US) 2003-03-06 WO disclosed
US-20030039615-A1 Method for treating bronchial constriction and bronchospasm CELLUAR SCIENCES, INC. 2003-02-27 US disclosed