SCHEMBL27484663

SCHEMBL27484663

COc1ccc(CC[C@@H](N)C(=O)O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
LDHA P00338 1/20 0.46
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL27503386 1.00 GRIK1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL27484664 1.00 GRIK1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29378321 0.87 LDHA (0.60) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29965330 0.87 LDHA (0.60) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29339 0.86 LDHA (0.55) LDHAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL5973191 0.86 LDHA (0.55) LDHAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL598291 0.86 LDHA (0.55) LDHAALDH1A1KMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL5973458 0.84 LDHA (0.54) LDHASMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5973459 0.84 LDHA (0.54) LDHASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL25183050 0.83 GRIA2 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167580-A Pharmaceutical composition and method for treating cancer 迪美公司 2019-08-23 CN claimed
CN-110062633-A Tyrosine derivatives and compositions comprising the same 迪美公司 2019-07-26 CN claimed
CN-109562116-A Protona and protona derivative and promotor in cancer treatment 迪美公司 2019-04-02 CN claimed
CN-109195601-A Pharmaceutical composition for treating cancer 迪美公司 2019-01-11 CN claimed
CN-106232105-A Tyrosine derivative and comprise the compositions of tyrosine derivative 迪美公司 2016-12-14 CN claimed
CN-105848771-A High-speed centrifugal mixing devices and methods of use 迪美公司 2016-08-10 CN claimed
CN-105848652-A Tyrosine hydroxylase inhibitors for the treatment of intestinal hyperpermeability 史蒂文·霍夫曼 2016-08-10 CN claimed
CN-104220057-A Pharmaceutical compositions and methods TYME INC 2014-12-17 CN claimed
CN-115515575-A Tyrosine derivatives for the modulation of cancer 迪美公司 2022-12-23 CN disclosed
CN-110167580-A Pharmaceutical composition and method for treating cancer 迪美公司 2019-08-23 CN disclosed
CN-109195601-A Pharmaceutical composition for treating cancer 迪美公司 2019-01-11 CN disclosed
CN-106232105-A Tyrosine derivative and comprise the compositions of tyrosine derivative 迪美公司 2016-12-14 CN disclosed
CN-104220057-A Pharmaceutical compositions and methods TYME INC 2014-12-17 CN disclosed
CN-1165337-C Synthetic cryptophycins ���Ĵ���ѧ 2004-09-08 CN disclosed
CN-1183726-A Synthetic cryptophycins UNIV HAWAII (US) 1998-06-03 CN disclosed