SCHEMBL9015301

SCHEMBL9015301

C=CC(=O)C(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FGFR4 P22455 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRR1 P24046 4/20 0.32
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
ENPEP Q07075 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
SCHEMBL28526302 0.90 TSHR (0.38) LMNATSHRALDH1A1FGFR4SLC6A2
SCHEMBL1486026 0.81 GABRR1 (0.43) LMNATSHRALDH1A1FGFR4GRIK1
SCHEMBL17335978 0.78 CPB2 (0.44) LMNATSHRALDH1A1SLC6A2SLC6A4
SCHEMBL2220364 0.76 GSR (0.50) LMNATSHRALDH1A1SLC6A2BLM
SCHEMBL3288838 0.76 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL5454196 0.75 TDP1 (0.42) LMNATSHRSLC6A2SLC6A4BLM
SCHEMBL1890045 0.75 TSHR (0.40) LMNATSHRALDH1A1SLC6A3
SCHEMBL14576404 0.74 GSR (0.48) LMNAALDH1A1SLC6A2BLMSLC6A3
SCHEMBL17335983 0.74 GSR (0.48) LMNAALDH1A1SLC6A2BLMSLC6A3
SCHEMBL17335988 0.74 GSR (0.48) LMNAALDH1A1SLC6A2BLMSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603268-B1 WETTABLE SILICONE HYDROGEL COMPOSITIONS AND METHODS BAUSCH & LOMB (US) 1996-12-18 EP claimed
US-5451617-A Wettable silicone hydrogel compositions and methods for their manufacture BAUSCH & LOMB INCORPORATED (US) 1995-09-19 US claimed
EP-0603268-B1 WETTABLE SILICONE HYDROGEL COMPOSITIONS AND METHODS BAUSCH & LOMB (US) 1996-12-18 EP disclosed
US-5451617-A Wettable silicone hydrogel compositions and methods for their manufacture BAUSCH & LOMB INCORPORATED (US) 1995-09-19 US disclosed