SCHEMBL10786181

SCHEMBL10786181

[CH2]CC(=O)N(C)C(CS)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPEP Q07075 2/20 0.31

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
SCHEMBL1762253 0.79 PTGS1 (0.37) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL1762254 0.79 PTGS1 (0.37) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL8670720 0.77 GABRP (0.41) BLM
SCHEMBL7648952 0.77 KDM4E (0.39) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL7648945 0.77 KDM4E (0.39) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL1984019 0.76 PTGS1 (0.37) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL1984021 0.76 PTGS1 (0.37) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL29094786 0.75 PTGS1 (0.39) PTGS1SLC7A11KDM4EMAPTTHRB
SCHEMBL8721546 0.73
SCHEMBL197121 0.73

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-0107614-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-10-21 EP claimed
US-4585460-A COTTON CIBA-GEIGY CORPORATION (US) 1986-04-29 US claimed
US-4585460-A COTTON CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed