SCHEMBL8443370

SCHEMBL8443370

C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(CC(=O)NCCCCCCc2ccc(F)cc2)[C@@H]1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.39
ASAH1 Q13510 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 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
SCHEMBL8439466 0.87 KMT2A (0.43) PLA2G7ASAH1POLBKMT2AALDH1A1
SCHEMBL8443368 0.84 PLA2G7 (0.39) PLA2G7ASAH1POLBGAAKMT2A
SCHEMBL8440268 0.79 KMT2A (0.44) PLA2G7ASAH1KMT2AMAPTRXFP1
SCHEMBL8440271 0.79 KMT2A (0.44) PLA2G7ASAH1KMT2AMAPTRXFP1
SCHEMBL8439464 0.77 KMT2A (0.43) PLA2G7ASAH1KMT2AMAPTRXFP1
SCHEMBL8441538 0.75 TRPV1 (0.49) ASAH1POLBGAAKMT2AALDH1A1
SCHEMBL8772461 0.73 TRPV1 (0.49) ASAH1GAAKMT2AALDH1A1HPGD
SCHEMBL8776909 0.73 TRPV1 (0.49) ASAH1GAAKMT2AALDH1A1HPGD
SCHEMBL8443487 0.73 KMT2A (0.48) PLA2G7ASAH1POLBGAAKMT2A
SCHEMBL8439402 0.72 KMT2A (0.43) ASAH1POLBKMT2AALDH1A1HPGD

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 2 patents. 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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed