SCHEMBL8772537

SCHEMBL8772537

O=C1CC(SCc2ccc(Cl)cc2)N1CCCCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SIGMAR1 Q99720 5/20 0.40
CCR3 P51677 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 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
SCHEMBL8442979 0.93 GSK3A (0.46) GSK3AGSK3BSIGMAR1CCR3TDP1
SCHEMBL8440233 0.92 FAAH (0.44) GSK3AGSK3BSIGMAR1CCR3TDP1
SCHEMBL8552527 0.89 HRH3 (0.41) POLBSIGMAR1
SCHEMBL8772441 0.88 GSK3A (0.40) GSK3AGSK3BSIGMAR1ALDH1A1TDP1
SCHEMBL8438564 0.88 GSK3A (0.43) GSK3AGSK3BSIGMAR1L3MBTL1FAAH
SCHEMBL8438577 0.82 PLAAT3 (0.47) POLBALDH1A1L3MBTL1LMNA
SCHEMBL8439155 0.82 PLAAT3 (0.47) POLBALDH1A1L3MBTL1LMNA
SCHEMBL8438842 0.82 PLAAT3 (0.47) POLBALDH1A1L3MBTL1LMNA
SCHEMBL8440368 0.82 PLAAT3 (0.47) POLBALDH1A1L3MBTL1LMNA
SCHEMBL8443375 0.82 GAA (0.44) GSK3AGSK3BALDH1A1L3MBTL1MGLL

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed