SCHEMBL8554258

SCHEMBL8554258

O=C(CN1C(=O)CC1S(=O)(=O)Cc1ccccc1)NCCCCCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ADAMTS4 O75173 3/20 0.43
ADAMTS5 Q9UNA0 3/20 0.43
EPHX2 P34913 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FKBP1A P62942 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 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
SCHEMBL8442243 0.86 TRPV1 (0.49) EPHX2KMT2AFKBP1ALMNASMN1; SMN2
SCHEMBL8554153 0.85 HPGD (0.46) EPHX2FKBP1ALMNAALDH1A1EPHX1
SCHEMBL8521282 0.82 MEN1 (0.47) MEN1KMT2AFKBP1ALMNAALDH1A1
SCHEMBL8521285 0.82 MEN1 (0.47) MEN1KMT2AFKBP1ALMNAALDH1A1
SCHEMBL8522522 0.82 MEN1 (0.47) MEN1KMT2AFKBP1ALMNAALDH1A1
SCHEMBL8442958 0.81 MAPT (0.47) RAB9AMEN1KMT2AFKBP1ALMNA
SCHEMBL8440327 0.81 TRPV1 (0.44) RAB9AKMT2AFKBP1ALMNAALDH1A1
SCHEMBL8549758 0.81 TRPV1 (0.44) EPHX2KMT2AFKBP1ALMNASMN1; SMN2
SCHEMBL8438725 0.80 TRPV1 (0.41) MEN1KMT2AFKBP1ALMNASMN1; SMN2
SCHEMBL8552725 0.80 SIGMAR1 (0.45) SIGMAR1ADAMTS4ADAMTS5EPHX2RAB9A

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-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP claimed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO claimed
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed