SCHEMBL8094804

SCHEMBL8094804

CCCCCCSC1CCN1CC(=O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
OPRM1 P35372 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KCNH2 Q12809 1/20 0.40
ACE P12821 1/20 0.39
HMOX1 P09601 1/20 0.39
FKBP1A P62942 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8104145 0.81 HPGD (0.40) POLBHPGDACEHMOX1HDAC3
SCHEMBL8108482 0.77 MAPT (0.46) MEN1KMT2ANPC1RAB9A
SCHEMBL8108430 0.76 HMOX1 (0.40) POLBHPGDABL1RIN1ACE
SCHEMBL5681564 0.70 HPGD (0.59) HPGDMEN1KMT2AHDAC3
SCHEMBL30874195 0.70 HPGD (0.59) HPGDMEN1KMT2AHDAC3
SCHEMBL932750 0.70 HPGD (0.59) HPGDMEN1KMT2AHDAC3
SCHEMBL8165390 0.70 HPGD (0.59) HPGDMEN1KMT2AHDAC3
SCHEMBL4392253 0.70 HPGD (0.59) HPGDMEN1KMT2AHDAC3
SCHEMBL4636973 0.70 OPRD1 (0.42) ABL1RIN1
SCHEMBL8443320 0.70 ACE (0.42) POLBACEHMOX1NPC1HDAC3

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 1 patent. 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 disclosed