SCHEMBL6965677

SCHEMBL6965677

O=C1NC(=O)C(Cc2cnc3cc(OCCc4nc5ccccc5o4)ccc3c2)S1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
CYP3A4 P08684 1/20 0.45
RXRA P19793 1/20 0.45
FFAR1 O14842 9/20 0.44
PPARA Q07869 4/20 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
SCHEMBL6964331 0.92 PPARG (0.46) PPARGFFAR1PPARA
SCHEMBL6956444 0.83 PPARG (0.57) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL29602962 0.80 FFAR1 (0.59) PPARGCYP3A4FFAR1PPARA
SCHEMBL377641 0.80 FFAR1 (0.59) PPARGCYP3A4FFAR1PPARA
SCHEMBL6958644 0.80 PPARG (0.50) PPARGCYP3A4PPARA
SCHEMBL6958784 0.80 FFAR1 (0.58) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6964545 0.79 PPARG (0.46) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6960095 0.78 PDE10A (0.51) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6966643 0.78 FFAR1 (0.52) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6964931 0.78 PPARG (0.56) PPARGCYP3A4RXRAFFAR1PPARA

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
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed