SCHEMBL4059320

SCHEMBL4059320

O=C1CC(OCc2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.45
BRD4 O60885 4/20 0.45
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 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
SCHEMBL9670907 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9559115 0.82 CREBBP (0.43) CREBBPBRD4TSHRHTTLMNA
SCHEMBL12821401 0.77 GAA (0.44) CREBBPBRD4PSEN1PSEN2APH1B
SCHEMBL8809394 0.77 CREBBP (0.54) CREBBPBRD4HTTMAPTALDH1A1
SCHEMBL10702878 0.77 BRD4 (0.47) CREBBPBRD4CYP2C19ALDH1A1
SCHEMBL28968894 0.76 LMNA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28532874 0.76 LMNA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11688745 0.76 LMNA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2173563 0.74 PDE4A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1929688 0.74 CRBN (0.44) CREBBPBRD4PSEN1PSEN2APH1B

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
WO-2009114729-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL STORAGE DISEASES AND DISORDERS IRM LLC (BM) 2009-09-17 WO disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
US-5705636-A Cyclohexene derivatives GLAXO WELLCOME S.P.A. (IT) 1998-01-06 US disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
EP-0617016-A1 Cyclohexene derivatives GLAXO S.p.A. (IT) 1994-09-28 EP disclosed