SCHEMBL5580138

SCHEMBL5580138

CC[C@@](Cc1ccc(O)cc1)(NCc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5580136 0.82 RAB9A (0.50) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2937877 0.72 SMN1; SMN2 (0.70) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL5580134 0.71 MEN1 (0.49) TSHRSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL23646500 0.70 BLM (0.54) TSHRSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL5580178 0.70 BLM (0.44) HSD17B10CYP3A4ALDH1A1
SCHEMBL5580181 0.70 BLM (0.44) HSD17B10CYP3A4ALDH1A1
SCHEMBL5566562 0.70 GAA (0.62) TSHRSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL5580189 0.70 RAB9A (0.44) TSHRSMN1; SMN2HPGDKMT2AMEN1
SCHEMBL1709357 0.69 SMN1; SMN2 (0.63) TSHRSMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL3099172 0.69 CYP3A4 (0.56) TSHRSMN1; SMN2HPGDHSD17B10KMT2A

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