SCHEMBL9015306

SCHEMBL9015306

C=CC(=O)C(N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
BLM P54132 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIK1 P39086 5/20 0.37
GRIK2 Q13002 5/20 0.37
GRM1 Q13255 2/20 0.37
GRM2 Q14416 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.34
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
SCHEMBL27581149 1.00 TSHR (0.40) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL10657927 0.81 TSHR (0.39) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL13074161 0.79 GRM8 (0.60) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL6859985 0.79 GRM8 (0.60) TSHRSLC6A2SLC6A4BLMSLC6A3
Aspartic Acid SCHEMBL28676864 0.79 GRIK1 (0.50) GRIK1GRIK2GRM1GRM2LMNA
SCHEMBL13282710 0.78 SLC22A6 (0.38) GRIK1GRIK2GRM1GRM2SLC22A6
SCHEMBL27562512 0.78 TDP1 (0.42) GRIK1GRIK2GRM1GRM2SLC22A6
SCHEMBL456956 0.78 SLC22A6 (0.38) GRIK1GRIK2GRM1GRM2SLC22A6
SCHEMBL4161262 0.78 SLC22A6 (0.38) GRIK1GRIK2GRM1GRM2SLC22A6
D-Aspartate SCHEMBL30284873 0.77 GRIK1 (0.48) TSHRBLMKMT2AGRIK1GRIK2

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