SCHEMBL9482870

SCHEMBL9482870

O=C(c1ccc(Cl)cc1)c1ccc(OCCCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.58
▸ GAA P10253 2/20 0.53
▸ PPARA Q07869 3/20 0.53
▸ HRH1 P35367 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ FABP2 P12104 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49

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
SCHEMBL12516203 0.93 GAA (0.59) GAAPPARAALDH1A1L3MBTL1KDM4E
SCHEMBL13299419 0.88 GAA (0.60) HPGDGAAPPARAHRH1HRH3
SCHEMBL14901527 0.86 GAA (0.72) GAAPPARAALDH1A1L3MBTL1KDM4E
SCHEMBL14901659 0.86 TP53 (0.60) HPGDGAAPPARAALDH1A1L3MBTL1
SCHEMBL1469758 0.86 GAA (0.72) GAAPPARAALDH1A1HTTL3MBTL1
SCHEMBL12516206 0.86 ESR1 (0.54) HPGDGAAPPARAHTTL3MBTL1
SCHEMBL11554967 0.86 GAA (0.72) HPGDGAAPPARAHRH1HRH3
SCHEMBL27428054 0.85 GAA (0.59) HPGDGAAPPARAL3MBTL1KDM4E
SCHEMBL2411188 0.84 DRD4 (0.55) HRH3ALDH1A1NPC1RAB9A
SCHEMBL21567534 0.84 NPC1 (0.62) HPGDGAAPPARAALDH1A1NPC1

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-5192786-A Fungicides, anticonvulsants, antisecretory ORTHO PHARMACEUTICAL CORPORATION (US) 1993-03-09 — — US disclosed
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