SCHEMBL14819909

SCHEMBL14819909

Cc1nc2cc([N+](=O)[O-])c(Oc3ccc(CC(=O)O)cc3Cl)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
PTGDR Q13258 2/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
GFER P55789 1/20 0.38
FFAR1 O14842 1/20 0.37
RHEB Q15382 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
AMY1A P0DUB6 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14819904 0.90 GFER (0.39) GFERGAANPC1MAPTRAB9A
SCHEMBL2004566 0.82 CYP3A4 (0.39) PPARDPPARAPPARGPTGDR2PTGDR
SCHEMBL2003571 0.78 PPARD (0.40) PPARDPPARAPPARGPTGDR2PTGDR
SCHEMBL2006729 0.76 PDE7A (0.47) PPARDPPARAPTGDR2PTGDRFFAR1
SCHEMBL2003584 0.75 PTGDR (0.62) PTGDR2PTGDR
SCHEMBL14819947 0.75 PPARD (0.38) PPARDPPARAPPARGPTGDR2PTGDR
SCHEMBL3641599 0.74 PPARD (0.39) PPARDPPARAPPARGPTGDR2PTGDR
SCHEMBL2003153 0.74 PPARD (0.39) PPARDPPARAPPARGPTGDR2PTGDR
SCHEMBL2004352 0.72 DCTPP1 (0.38) MAPTPOLB
SCHEMBL8909197 0.72 ALDH1A1 (0.54) PPARGPRKAG1PRKAA2PRKAB1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed