SCHEMBL28073665

SCHEMBL28073665

O=COCc1coc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.51
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
MAOB P27338 5/20 0.50
FFAR1 O14842 1/20 0.50
ACHE P22303 1/20 0.49
MAOA P21397 2/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL17338651 0.86 PPARD (0.52) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL9749438 0.84 MAOB (0.56) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL27707705 0.81 MAOB (0.55) MAOBACHEMAOANPC1CASP3
SCHEMBL29530200 0.78 MAOB (0.64) MAOBACHEMAOANPC1CASP3
SCHEMBL21591464 0.78 MAOB (0.57) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL28105832 0.76 MAOB (0.49) MAOBMAOA
SCHEMBL5534896 0.76 MAOB (0.50) MAOBMAOA
SCHEMBL30843885 0.76 MAOB (0.65) MAOBFFAR1ACHEMAOANPC1
SCHEMBL14018181 0.76 MAOB (0.65) MAOBFFAR1ACHEMAOANPC1
SCHEMBL17338657 0.76 MAOB (0.48) MAOBACHEMAOANPC1CASP3

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
CN-104254525-B aromatic ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-05-25 CN disclosed