SCHEMBL9015316

SCHEMBL9015316

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 1/20 0.36
GABRR1 P24046 4/20 0.34
SLC7A5 Q01650 2/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL15463361 0.82 GABRR1 (0.46) TDP1TGFBR1GABRR1SLC7A5GRIK1
SCHEMBL17336351 0.79 CPB2 (0.42) TDP1TGFBR1GABRR1TSHRLMNA
SCHEMBL4603941 0.78 TGFBR1 (0.38) TDP1TGFBR1TSHRADRA1A
SCHEMBL5678264 0.77 GSR (0.48) GABRR1LMNA
SCHEMBL27653781 0.76 TDP1 (0.40) TDP1TGFBR1GRIK1GRIK2GRM1
SCHEMBL17335986 0.76 CPB2 (0.47) GABRR1LMNA
SCHEMBL17335976 0.76 CPB2 (0.47) GABRR1LMNA
SCHEMBL8713920 0.76 CPB2 (0.47) GABRR1LMNA
SCHEMBL17335968 0.76 CPB2 (0.47) GABRR1LMNA
SCHEMBL17335987 0.76 CPB2 (0.47) GABRR1LMNA

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