SCHEMBL14765467

SCHEMBL14765467

COc1ccc(OCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 8/20 0.56
▸ PPARA Q07869 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ PKM P14618 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13484540 0.86 PPARD (0.78) PPARDPPARA
SCHEMBL14765473 0.82 PPARD (0.56) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL14765472 0.82 PPARD (0.56) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL14765479 0.79 PPARD (0.72) PPARDPPARAKDM4EL3MBTL1NPSR1
SCHEMBL14765474 0.76 PPARD (0.62) PPARDPPARAALDH1A1KDM4EL3MBTL1
SCHEMBL3199595 0.75 PPARD (0.61) PPARDPPARAALDH1A1MAPT
SCHEMBL14124587 0.75 PPARD (0.60) PPARDPPARAALDH1A1L3MBTL1NPSR1
SCHEMBL3210801 0.75 PPARD (0.74) PPARDPPARA
SCHEMBL14765468 0.74 PPARD (0.57) PPARDPPARAALDH1A1KDM4EL3MBTL1
SCHEMBL13484537 0.73 PPARD (0.74) PPARDPPARA

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
US-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 — — US disclosed
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