SCHEMBL27423951

SCHEMBL27423951

N[C@@H](C(=O)O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
CTSA P10619 9/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM1 Q13255 2/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1582982 1.00 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11083464 1.00 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL11087078 0.98 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10591999 0.84 ALDH1A1 (0.39) CTSAALDH1A1TSHRNOS1HSD17B10
SCHEMBL14796485 0.84 ALDH1A1 (0.39) CTSAALDH1A1TSHRNOS1HSD17B10
SCHEMBL11095423 0.82 ALDH1A1 (0.38) CTSAALDH1A1TSHRNOS1HSD17B10
SCHEMBL10585441 0.82 ALDH1A1 (0.47) CTSAALDH1A1TSHRNOS1HSD17B10
SCHEMBL27815004 0.78 ALDH1A1 (0.43) CTSAALDH1A1TSHRLMNAMEN1
Oxalic Acid SCHEMBL7013062 0.77 ALDH1A1 (0.41) CTSAALDH1A1TSHRNOS1HSD17B10
SCHEMBL9179616 0.77 CTSA (0.41) CTSAALDH1A1

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
CN-1086825-A Three ring and tetracyclic compounds HOFFMANN LA ROCHE (CH) 1994-05-18 CN disclosed