SCHEMBL8438510

SCHEMBL8438510

O=C(O)C(CCCCCCc1ccc(Cl)cc1)N1C(=O)CC1SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MDM2 Q00987 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
PKM P14618 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
SCHEMBL8443671 0.85 FAAH (0.38) L3MBTL1ALDH1A1
SCHEMBL27478242 0.85 FAAH (0.38) L3MBTL1ALDH1A1
SCHEMBL8443365 0.80 LMNA (0.41) LMNAPPARGPPARAMDM2ALDH1A1
SCHEMBL14339042 0.80 MAPT (0.46) LMNAL3MBTL1ALDH1A1PLAAT3PLAAT5
SCHEMBL9061912 0.79 LMNA (0.40) LMNAPPARGPPARAMDM2PLAAT3
SCHEMBL8552221 0.79 MDM2 (0.44) TDP1L3MBTL1MDM2ALDH1A1PKM
SCHEMBL8772537 0.78 POLB (0.40) LMNATDP1L3MBTL1ALDH1A1
SCHEMBL8554773 0.78 ALDH1A1 (0.54) LMNATDP1L3MBTL1ALDH1A1PKM
SCHEMBL8551199 0.77 ALDH1A1 (0.43) TDP1L3MBTL1ALDH1A1PKM
SCHEMBL8438842 0.75 PLAAT3 (0.47) LMNAL3MBTL1ALDH1A1PLAAT3PLAAT5

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-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed