SCHEMBL25943149

SCHEMBL25943149

CCOC(=O)COc1ccc(-c2ccc(CCCCN)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PTPN1 P18031 1/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PLA2G4A P47712 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL2292200 0.96 PPARA (0.55) PPARAPPARGGAANPSR1KDM4E
Hydrochloric Acid SCHEMBL28797126 0.91 GAA (0.55) PPARAPPARGGAANPSR1KDM4E
SCHEMBL9651741 0.88 PPARA (0.67) PPARAPPARGGAANPSR1ALDH1A1
SCHEMBL8554090 0.86 GAA (0.59) PPARAPPARGGAANPSR1KDM4E
Hydrochloric Acid SCHEMBL6981890 0.85 GAA (0.57) PPARAPPARGGAANPSR1KDM4E
SCHEMBL12869146 0.85 PPARA (0.69) PPARAPPARGGAANPSR1PLA2G4A
SCHEMBL28405319 0.83 PPARA (0.71) PPARAPPARGGAANPSR1ALDH1A1
SCHEMBL15922116 0.83 PPARA (0.71) PPARAPPARGGAANPSR1ALDH1A1
SCHEMBL11817150 0.83 PPARA (0.63) PPARAPPARGGAANPSR1KDM4E
SCHEMBL9267668 0.83 GAA (0.70) GAANPSR1KDM4EHSD17B10ALDH1A1

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
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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