SCHEMBL1378233

SCHEMBL1378233

CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc2nc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 3/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HSD11B1 P28845 6/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL1378229 0.92 HPGD (0.38) ALDH1A1HPGDNPC1LMNAHTT
SCHEMBL1378327 0.80 KMT2A (0.53) ALDH1A1HPGDNPC1HTTHDAC6
SCHEMBL6865989 0.78 ACHE (0.41) NPC1LMNAEPHX1RAB9A
SCHEMBL5305861 0.78 HPGD (0.45) ALDH1A1HPGDLMNAHSD11B1SMN1; SMN2
SCHEMBL28950573 0.78 HDAC6 (0.60) ALDH1A1HPGDNPC1LMNAHTT
SCHEMBL25913609 0.77 SCN1A (0.48) ALDH1A1HPGDNPC1LMNAHTT
SCHEMBL5305864 0.77 PARP1 (0.44) HPGDKDM4EKMT2AMEN1
SCHEMBL24848168 0.76 MEN1 (0.46) ALDH1A1NPC1LMNAHTTEPHX1
SCHEMBL5010378 0.76 PARP10 (0.44) ALDH1A1NPC1LMNAHTTRAB9A
SCHEMBL25920617 0.75 LMNA (0.56) NPC1LMNAHTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658940-B2 — — 2011-03-23 — — JP claimed
JP-2006528213-A — — 2006-12-14 — — JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 — — EP claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 — — WO claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 — — EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 — — WO disclosed
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