SCHEMBL3932028

SCHEMBL3932028

CCC(c1cc(I)c(O)c(I)c1)C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HKDC1 Q2TB90 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
CNR2 P34972 1/20 0.40
CTSL P07711 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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 0.86 SLC1A2 (0.57) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927049 0.84 SLC1A2 (0.51) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3926901 0.82 SLC1A2 (0.47) SLC1A2PPARGPPARAHKDC1ALDH1A1
SCHEMBL3935805 0.80 SLC1A2 (0.54) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927115 0.80 RAB9A (0.57) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3938128 0.78 ALDH1A1 (0.54) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL5580466 0.77 SLC1A2 (0.50) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3936098 0.76 NPC1 (0.54) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274409 0.74 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274408 0.74 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A

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