SCHEMBL7635176

SCHEMBL7635176

O=C(O)CC(C(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 5/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KMO O15229 1/20 0.41
CASP1 P29466 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
SCHEMBL7632409 0.82 FFAR1 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1FFAR1
SCHEMBL7873209 0.82 FNTA (0.46) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL1456465 0.80 SLC6A3 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1FFAR1
SCHEMBL7644430 0.80 FFAR1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1FFAR1
SCHEMBL3901687 0.79 CNR2 (0.44) SLC6A2SLC6A3ALDH1A1FFAR1CASP1
SCHEMBL7873870 0.74 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL3274730 0.74 CASP1 (0.41) SLC6A2SLC6A3ALDH1A1PPARGPPARA
SCHEMBL7871902 0.74 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL9444866 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3FFAR1
SCHEMBL7925442 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433174-B1 Process for producing novel naphthyridine derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
EP-1142892-A1 PROCESSES FOR THE PREPARATION OF NOVEL NAPHTHYRIDINE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2001-10-10 EP disclosed