SCHEMBL9203558

SCHEMBL9203558

O=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)OCCc1ccsc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL9201736 0.85 MAOA (0.39)
SCHEMBL9202065 0.84 TYR (0.38)
SCHEMBL9202076 0.82 PPARG (0.37) PPARGHPGDPOLBL3MBTL1
SCHEMBL9199719 0.82 TYR (0.41)
SCHEMBL9208570 0.81 CES1 (0.39)
SCHEMBL9204906 0.80 TDP2 (0.40) HPGD
SCHEMBL9206927 0.79 MAOA (0.42)
SCHEMBL9201631 0.78 TYR (0.40)
SCHEMBL9203599 0.78 DNMT3A (0.35)
SCHEMBL9201592 0.78 TDP2 (0.50) L3MBTL1

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
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP claimed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP claimed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed