SCHEMBL5580168

SCHEMBL5580168

CC[C@@](Cc1ccc(O)cc1)(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
HPGD P15428 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
BLM P54132 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.42
HTT P42858 1/20 0.42
ME3 Q16798 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 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
SCHEMBL5580167 1.00 FNTA (0.47) FNTAFNTBBCHEACHETRPV1
SCHEMBL3929853 0.88 NLRP3 (0.47) SIGMAR1KDM4EL3MBTL1HTTGAA
SCHEMBL7607177 0.88 NLRP3 (0.47) SIGMAR1KDM4EL3MBTL1HTTGAA
SCHEMBL3929925 0.87 CTSB (0.52) TRPV1ALDH1A1L3MBTL1GAAMEN1
SCHEMBL3929927 0.87 CTSB (0.52) TRPV1ALDH1A1L3MBTL1GAAMEN1
SCHEMBL3935802 0.85 TRPV1 (0.55) TRPV1HPGDALDH1A1SMN1; SMN2
SCHEMBL3935809 0.85 TRPV1 (0.55) TRPV1HPGDALDH1A1SMN1; SMN2
SCHEMBL3924272 0.83 LMNA (0.45) BCHEHPGDBLMHTTCNR1
SCHEMBL3924275 0.83 LMNA (0.45) BCHEHPGDBLMHTTCNR1
SCHEMBL3927053 0.82 BLM (0.44) BLMADRB2SMN1; SMN2KMT2A

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 8 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
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO 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
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed