SCHEMBL4416703

SCHEMBL4416703

O=CCCC(=O)N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.63
▸ HDAC1 Q13547 1/20 0.63
▸ HDAC10 Q969S8 1/20 0.63
▸ HDAC11 Q96DB2 1/20 0.63
▸ HPGD P15428 2/20 0.60
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MAPT P10636 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TAAR1 Q96RJ0 2/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ LMNA P02545 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ NOTUM Q6P988 1/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55

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
SCHEMBL3244156 0.84 HPGD (0.68) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL6228768 0.83 HDAC3 (0.68) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL5380082 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL5385138 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL13487712 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL9138101 0.81 HDAC3 (0.71) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL13059439 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL6580790 0.81 HDAC3 (0.71) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL2334856 0.80 HDAC3 (0.65) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL4072403 0.80 HPGD (0.70) HDAC3HDAC1HDAC10HDAC11HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 — — WO disclosed
EP-1863812-A4 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2009-06-24 — — EP disclosed
EP-1863812-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2007-12-12 — — EP disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 — — WO disclosed
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