SCHEMBL8440535

SCHEMBL8440535

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)OCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 2/20 0.42
FKBP1A P62942 3/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36

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
SCHEMBL8549722 0.85 HRH3 (0.41) GPBAR1
SCHEMBL27479451 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL20971533 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8438266 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8438262 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8442091 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8439673 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL20971523 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8522255 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5
SCHEMBL8772526 0.83 PLAAT3 (0.47) ALDH1A1POLBLMNAPLAAT3PLAAT5

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 claimed