SCHEMBL22678459

SCHEMBL22678459

O=C(Nc1ccccc1)C1CCCCCCC(c2ccccc2)CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.81
▸ PTPN1 P18031 1/20 0.61
▸ GAA P10253 2/20 0.59
▸ KCNK3 O14649 1/20 0.59
▸ KCNK9 Q9NPC2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ USP2 O75604 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ POLB P06746 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ ENPP3 O14638 2/20 0.54
▸ ENPP1 P22413 2/20 0.54
▸ ENPP2 Q13822 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL22678442 1.00 HPGD (0.81) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL22678640 1.00 HPGD (0.81) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL19703413 0.90 HPGD (1.00) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL1300190 0.90 HPGD (1.00) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL4668488 0.88 HPGD (0.96) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL2184247 0.85 HPGD (0.89) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL25730750 0.84 HPGD (0.87) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL19501631 0.84 HPGD (0.87) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL8020692 0.84 HPGD (0.87) HPGDPTPN1GAAKCNK3KCNK9
SCHEMBL31401950 0.82 HPGD (0.83) HPGDPTPN1GAAKCNK3KCNK9

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-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
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