SCHEMBL9167601

SCHEMBL9167601

NC(CSSCC(N)(C(=O)O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 3/20 0.39
GRM4 Q14833 3/20 0.39
KIF11 P52732 4/20 0.37
TSHR P16473 1/20 0.35
GPR35 Q9HC97 1/20 0.35
KMO O15229 1/20 0.35
GRM6 O15303 1/20 0.34

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
Cystine SCHEMBL6937787 0.79 GPR35 (0.60) GRM8GRM4KIF11GPR35KMO
Cystine SCHEMBL6937795 0.79 GPR35 (0.60) GRM8GRM4KIF11GPR35KMO
SCHEMBL6937789 0.74 GRM8 (0.41) GRM8GRM4GPR35KMO
SCHEMBL12985822 0.72 TSHR (0.40) TSHRGPR35
SCHEMBL9064821 0.72 GRM8 (0.49) GRM8GRM4KIF11TSHRGPR35
SCHEMBL8138283 0.69 ALDH1A1 (0.43) KIF11TSHR
SCHEMBL598438 0.68 GRM8 (0.48) GRM8GRM4GPR35
SCHEMBL8904293 0.66 KDM4E (0.52) GRM8GRM4KIF11TSHR
SCHEMBL2003176 0.66 KDM4E (0.52) GRM8GRM4KIF11TSHR
SCHEMBL8610040 0.66 KDM4E (0.52) GRM8GRM4KIF11TSHR

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-0645138-A2 Pharmaceutical composition for maintaining and/or reestablishing a rate of blood platelet aggregation clone to the normal value Dehorne, Marthe (FR) 1995-03-29 EP claimed
EP-0645138-A2 Pharmaceutical composition for maintaining and/or reestablishing a rate of blood platelet aggregation clone to the normal value Dehorne, Marthe (FR) 1995-03-29 EP disclosed
US-4041150-A OXIDATION WILSON FOODS CORPORATION (US) 1977-08-09 US disclosed