SCHEMBL8554981

SCHEMBL8554981

CCCCCC(NC(=O)C(C)N1C(=O)CC1S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GPR88 Q9GZN0 2/20 0.34
CNR2 P34972 1/20 0.34
CTSK P43235 1/20 0.34
OXTR P30559 1/20 0.33

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
SCHEMBL8554152 0.83 POLB (0.41) POLBRAB9ABACE1KDM4EALDH1A1
SCHEMBL8592569 0.81 POLB (0.39) POLBRAB9ABACE1KDM4EALDH1A1
SCHEMBL8813165 0.76 BACE1 (0.35) POLBRAB9ABACE1KDM4EALDH1A1
SCHEMBL8593434 0.76 KCNK3 (0.37) POLBRAB9ABACE1KDM4EALDH1A1
SCHEMBL27520600 0.75 CNR2 (0.39) POLBRAB9AKDM4EALDH1A1GPR88
SCHEMBL8593535 0.75 CYP1A2 (0.41)
SCHEMBL8596274 0.73 GPR88 (0.34) POLBRAB9AKDM4EALDH1A1MAPT
SCHEMBL8594406 0.72 CYP1A2 (0.39) MAPT
SCHEMBL27486117 0.67 CYP1A2 (0.42) MAPTCNR2
SCHEMBL8554153 0.64 HPGD (0.46) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed