SCHEMBL5580937

SCHEMBL5580937

CC(c1ccc(O)cc1)C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.54
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GPR132 Q9UNW8 1/20 0.49
LMNA P02545 5/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 2/20 0.43
HPGD P15428 2/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL9461814 0.91 SLC1A2 (0.60) SLC1A2PPARGPPARASMN1; SMN2GPR132
SCHEMBL9461816 0.91 SLC1A2 (0.60) SLC1A2PPARGPPARASMN1; SMN2GPR132
SCHEMBL9462002 0.91 SLC1A2 (0.60) SLC1A2PPARGPPARASMN1; SMN2GPR132
SCHEMBL3927049 0.82 SLC1A2 (0.51) SLC1A2PPARGPPARASMN1; SMN2LMNA
SCHEMBL2522738 0.81 MME (0.44) ALDH1A1KMT2ACA2CA1
SCHEMBL29135907 0.81 SMN1; SMN2 (0.73) SMN1; SMN2LMNAGFERALDH1A1KMT2A
SCHEMBL9829118 0.81 NPC1 (0.56) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL9829127 0.81 NPC1 (0.56) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL1168553 0.79 SLC1A2 (0.66) SLC1A2PPARGPPARASMN1; SMN2LMNA
SCHEMBL9462009 0.79 SLC1A2 (0.66) SLC1A2PPARGPPARASMN1; SMN2LMNA

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