SCHEMBL8102574

SCHEMBL8102574

C[S+]([O-])C1CC(=O)N1CC(=O)CCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL8104210 0.95 MAPT (0.43) HDAC1HDAC2ALOX5FAAHNAAA
SCHEMBL8104122 0.95 MAPT (0.43) HDAC1HDAC2ALOX5FAAHNAAA
SCHEMBL8102560 0.93 HMOX1 (0.40) SMN1; SMN2NPC1TDP1ALOX5
SCHEMBL8772384 0.83 MAPT (0.42) HDAC1HDAC2ALOX5FAAHEPHX2
SCHEMBL8442702 0.82 HMOX1 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8109827 0.81 FAAH (0.43) TDP1MEN1KMT2AFAAH
SCHEMBL8102633 0.81 TRPV1 (0.49) LMNAKMT2AEPHX2
SCHEMBL8108448 0.80 HMOX1 (0.38) NPC1TDP1MEN1KMT2A
SCHEMBL8094772 0.80 HMOX1 (0.39) HDAC3TDP1LMNA
SCHEMBL8772382 0.80 HMOX1 (0.40) MAPK1SMN1; SMN2NPC1TDP1

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
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed