SCHEMBL19406435

SCHEMBL19406435

O=C(O)[C@H](CS)N(S)CO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
ENPEP Q07075 4/20 0.33
FOLH1 Q04609 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL11584178 0.79 PTGS1 (0.36) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL7150005 0.79 PTGS1 (0.36) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL11585164 0.78
SCHEMBL2991431 0.78
SCHEMBL8345827 0.78
SCHEMBL3315313 0.77
SCHEMBL3315309 0.77
SCHEMBL23829900 0.76 CA12 (0.35) PTGS1SLC7A11ENPEPKDM4EMAPT
SCHEMBL11583564 0.76 CA12 (0.35) PTGS1SLC7A11ENPEPKDM4EMAPT
SCHEMBL4409628 0.74 ALDH1A1 (0.32) PTGS1SLC7A11

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-2629769-B1 CYSTEINE AND AGEING-ASSOCIATED ANOREXIA NESTEC SA (CH) 2017-10-04 EP claimed