SCHEMBL8772574

SCHEMBL8772574

O=C(O)CS(=O)(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CC(=O)NCCCCCCc2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
NAMPT P43490 1/20 0.35
PLA2G7 Q13093 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TBXA2R P21731 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
SCHEMBL8439456 0.89 KDM4E (0.40) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL8443653 0.89 KMT2A (0.46) ALDH1A1KDM4ETDP1LMNAKMT2A
SCHEMBL8108487 0.85 TSHR (0.43) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
SCHEMBL8443006 0.84 POLB (0.41) ALDH1A1KDM4ETDP1LMNAPOLB
SCHEMBL8441254 0.83 MEN1 (0.39) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
SCHEMBL8772503 0.83 TRPV1 (0.48) ALDH1A1LMNAKMT2ATSHRNAMPT
SCHEMBL27495125 0.83 TRPV1 (0.48) ALDH1A1LMNAKMT2ATSHRNAMPT
SCHEMBL8438732 0.83 TRPV1 (0.48) ALDH1A1LMNAKMT2ATSHRNAMPT
SCHEMBL27515042 0.83 TRPV1 (0.48) ALDH1A1LMNAKMT2ATSHRNAMPT
SCHEMBL8442084 0.83 TRPV1 (0.48) ALDH1A1LMNAKMT2ATSHRNAMPT

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed