SCHEMBL9201631

SCHEMBL9201631

O=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)OCCc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
TDP2 O95551 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
SCHEMBL9207369 0.94 AKR1B10 (0.35) TYR
SCHEMBL9201736 0.86 MAOA (0.39)
SCHEMBL9201014 0.85 PTGS1 (0.46)
SCHEMBL9202065 0.83 TYR (0.38) TYR
SCHEMBL9199719 0.82 TYR (0.41) TYR
SCHEMBL9208570 0.82 CES1 (0.39) TDP2
SCHEMBL9206927 0.82 MAOA (0.42)
SCHEMBL9204906 0.81 TDP2 (0.40) TDP2
SCHEMBL9202076 0.80 PPARG (0.37)
SCHEMBL9206458 0.80 ALDH1A1 (0.38)

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