SCHEMBL1378229

SCHEMBL1378229

CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ GABRA1 P14867 1/20 0.38

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
SCHEMBL1378233 0.92 ALDH1A1 (0.45) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL6865989 0.81 ACHE (0.41) CHRM2CYP3A4CNR1SLC6A2SLC6A3
SCHEMBL1378326 0.80 KMT2A (0.43) HPGDMEN1KMT2AHSD17B10KDM4E
SCHEMBL5305861 0.78 HPGD (0.45) HPGDMEN1KMT2AHSD17B10KDM4E
SCHEMBL14315484 0.78 RAB9A (0.55) HPGDMEN1KMT2AKDM4ETP53
SCHEMBL25913609 0.77 SCN1A (0.48) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL5305864 0.77 PARP1 (0.44) HPGDMEN1KMT2AHSD17B10KDM4E
SCHEMBL24848168 0.76 MEN1 (0.46) MEN1KMT2ATP53ALDH1A1NPC1
SCHEMBL5010378 0.76 PARP10 (0.44) MEN1KMT2APDE4DALDH1A1NPC1
SCHEMBL25920617 0.75 LMNA (0.56) MEN1KMT2ATP53CHRM2CHRM3

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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