SCHEMBL8439559

SCHEMBL8439559

NC(=O)C(Cc1ccccc1)N1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.42
EPHX1 P07099 1/20 0.40
HDAC8 Q9BY41 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CAPN1 P07384 1/20 0.35

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
SCHEMBL8591740 0.75 HDAC3 (0.43) HDAC8MEN1KMT2A
SCHEMBL8553163 0.74 SLC1A2 (0.55) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9061912 0.73 LMNA (0.40) LMNA
SCHEMBL8440093 0.72 ITGB1 (0.39) ALDH1A1POLBL3MBTL1GAAHPGD
SCHEMBL10786573 0.69 ALDH1A1 (0.68) ALDH1A1POLBL3MBTL1PKMEPHX1
SCHEMBL8772608 0.69 ALDH1A1 (0.42) ALDH1A1TDP1HPGDSMN1; SMN2MEN1
SCHEMBL27478255 0.69 F2 (0.36) ALDH1A1POLBGAAHPGDLMNA
SCHEMBL8440095 0.69 F2 (0.36) ALDH1A1POLBGAAHPGDLMNA
SCHEMBL8772523 0.68 HCRTR1 (0.43) ALDH1A1L3MBTL1GAAHSD17B10HPGD
SCHEMBL8772387 0.68 HMOX1 (0.40) ALDH1A1POLBL3MBTL1PKMTDP1

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