SCHEMBL3936009

SCHEMBL3936009

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.72
CTSL P07711 4/20 0.66
TACR1 P25103 4/20 0.60
GPR132 Q9UNW8 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
MAPT P10636 1/20 0.53
S1PR1 P21453 1/20 0.53
GRIA1 P42261 1/20 0.53
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL3936012 1.00 ACE (0.72) ACECTSLTACR1GPR132GAA
SCHEMBL7709445 0.96 ACE (0.70) ACECTSLTACR1GPR132GAA
SCHEMBL30064651 0.88 CTSL (0.62) ACECTSLGAARAB9AALDH1A1
SCHEMBL3935180 0.88 CTSL (0.62) ACECTSLGAARAB9AALDH1A1
SCHEMBL1784498 0.88 CTSL (0.62) ACECTSLGAARAB9AALDH1A1
SCHEMBL1796825 0.88 CTSL (0.62) ACECTSLGAARAB9AALDH1A1
SCHEMBL3928165 0.88 LNPEP (0.67) ACECTSLGAARAB9AALDH1A1
SCHEMBL3928164 0.88 LNPEP (0.67) ACECTSLGAARAB9AALDH1A1
SCHEMBL6674337 0.87 CTSL (0.61) ACECTSLGAARAB9AALDH1A1
SCHEMBL3065366 0.86 CTSL (0.64) CTSLTACR1ALDH1A1CTSSCTSK

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 10 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
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP 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