SCHEMBL8772501

SCHEMBL8772501

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CC(=O)NCCCCCCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL8439022 0.93 MAPT (0.42) KMT2APOLBALDH1A1MAPTGAA
SCHEMBL8442110 0.89 ALDH1A1 (0.43) KMT2APOLBALDH1A1GAATRPV1
SCHEMBL27495125 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL27515042 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL27493521 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL8772503 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL27515045 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL8438732 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL8442084 0.89 TRPV1 (0.48) KMT2AALDH1A1GAATRPV1TSHR
SCHEMBL8772522 0.88 TRPV1 (0.46) KMT2AALDH1A1GAATRPV1TSHR

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed