SCHEMBL5580177

SCHEMBL5580177

CCC(c1ccc(O)cc1)C(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.49
PLK1 P53350 1/20 0.45
GFER P55789 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA5 P22460 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
MMP3 P08254 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL5580150 0.90 ALDH1A1 (0.46) PLK1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5580157 0.86 CCR3 (0.51) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL3927049 0.82 SLC1A2 (0.51) GFERALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL3927115 0.78 RAB9A (0.57) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL25386182 0.77 PLK1 (0.57) DEGS1PLK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL25388151 0.77 PLK1 (0.57) DEGS1PLK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL735538 0.77 PLK1 (0.57) DEGS1PLK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7031326 0.76 PLK1 (0.55) DEGS1PLK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL18067772 0.76 PLK1 (0.55) PLK1ALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL18067787 0.76 PLK1 (0.55) PLK1ALDH1A1HPGDSMN1; SMN2THRB

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