SCHEMBL5580159

SCHEMBL5580159

CCC(Cc1ccc([N+](=O)[O-])cc1)(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
WDR5 P61964 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
RORC P51449 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
SCHEMBL5580161 1.00 CCR3 (0.49) CCR3MEN1KMT2AALOX5PTGS1
SCHEMBL5580151 0.93 CCR3 (0.49) CCR3MEN1KMT2AGAAWDR5
SCHEMBL5580149 0.93 CCR3 (0.49) CCR3MEN1KMT2AGAAWDR5
SCHEMBL5580180 0.86 DEGS1 (0.49) MEN1KMT2A
SCHEMBL5580183 0.86 DEGS1 (0.49) MEN1KMT2A
SCHEMBL5580412 0.85 CCR3 (0.48) CCR3MEN1KMT2AGAAWDR5
SCHEMBL5580414 0.85 CCR3 (0.48) CCR3MEN1KMT2AGAAWDR5
SCHEMBL5580154 0.85 DRD4 (0.49) MEN1KMT2AMAPT
SCHEMBL5580152 0.85 DRD4 (0.49) MEN1KMT2AMAPT
SCHEMBL3936107 0.83 NPC1 (0.49) MEN1KMT2AGAAMAPT

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 5 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
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