SCHEMBL5580466

SCHEMBL5580466

CCC(c1ccccc1O)C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSL P07711 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL3927034 0.84 SLC1A2 (0.57) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927861 0.83 RAB9A (0.47) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927049 0.82 SLC1A2 (0.51) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3935805 0.78 SLC1A2 (0.54) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927115 0.77 RAB9A (0.57) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3926901 0.77 SLC1A2 (0.47) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3932028 0.77 SLC1A2 (0.47) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274408 0.77 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274409 0.77 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL4001470 0.77 GPR84 (0.51) SLC1A2ALDH1A1RAB9AKDM4ECTSL

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 3 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
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