SCHEMBL5580402

SCHEMBL5580402

CC[C@@](Cc1ccc(O)cc1)(NC(=O)c1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
KMT2A Q03164 5/20 0.41
BLM P54132 1/20 0.41
DDX3X O00571 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5580405 1.00 APEX1 (0.44) APEX1KMT2ABLMDDX3XCYP1A2
SCHEMBL5580183 0.85 DEGS1 (0.49) KMT2AALDH1A1
SCHEMBL5580180 0.85 DEGS1 (0.49) KMT2AALDH1A1
SCHEMBL3927057 0.85 BLM (0.44) KMT2ABLM
SCHEMBL3927053 0.85 BLM (0.44) KMT2ABLM
SCHEMBL3927119 0.81 RAB9A (0.44) KMT2ABLMLMNAMAPTALDH1A1
SCHEMBL3927124 0.81 RAB9A (0.44) KMT2ABLMLMNAMAPTALDH1A1
SCHEMBL5580187 0.79 MAPT (0.44) KMT2ALMNAMAPTALDH1A1GAA
SCHEMBL5580168 0.79 FNTA (0.47) KMT2ABLMALDH1A1GAAHTT
SCHEMBL5580167 0.79 FNTA (0.47) KMT2ABLMALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed