SCHEMBL8592437

SCHEMBL8592437

O=C(CN1C(=O)CC1SCc1ccccc1)NCCCCCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
RECQL P46063 2/20 0.43
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL8813273 0.89 LMNA (0.46) LMNAPKMTAAR1RECQLHPGD
SCHEMBL27476952 0.88 TRPV1 (0.50) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8440280 0.88 TRPV1 (0.50) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8441268 0.88 TRPV1 (0.50) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8440276 0.88 TRPV1 (0.50) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL27495124 0.88 TRPV1 (0.50) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8551142 0.87 HPGD (0.47) HPGDNAMPT
SCHEMBL8442701 0.86 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8443344 0.84 LMNA (0.46) LMNAMEN1KMT2A
SCHEMBL8441910 0.83 TRPV1 (0.55) LMNAHPGDKMT2ATSHRGAA

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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN claimed
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