SCHEMBL28463183

SCHEMBL28463183

COc1ccc(CCC[C@@H](N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
LDHA P00338 1/20 0.54
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRM4 Q14833 1/20 0.52
CALM1 P0DP23 1/20 0.51
ALOX5 P09917 1/20 0.51
GRIK1 P39086 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
F2RL1 P55085 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1238414 1.00 KIF11 (0.55) KIF11LDHAGRM8GRM6GRM4
SCHEMBL2926805 1.00 KIF11 (0.55) KIF11LDHAGRM8GRM6GRM4
SCHEMBL10419544 0.95 KIF11 (0.53) KIF11LDHAGRM8GRM6GRM4
SCHEMBL28463907 0.95 KIF11 (0.53) KIF11LDHAGRM8GRM6GRM4
SCHEMBL28463903 0.95 KIF11 (0.53) KIF11LDHAGRM8GRM6GRM4
SCHEMBL28469542 0.94 KIF11 (0.52) KIF11LDHAGRM8GRM6GRM4
SCHEMBL28467284 0.94 KIF11 (0.52) KIF11LDHAGRM8GRM6GRM4
SCHEMBL10420495 0.94 KIF11 (0.52) KIF11LDHAGRM8GRM6GRM4
SCHEMBL6950447 0.90 KIF11 (0.57) KIF11LDHAGRM8GRM6GRM4
SCHEMBL18071078 0.90 KIF11 (0.57) KIF11LDHAGRM8GRM6GRM4

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-111777521-A Synthesis method of multi-configuration long-chain phenyl amino acid compound 苏州爱玛特生物科技有限公司 2020-10-16 CN disclosed