SCHEMBL4028531

SCHEMBL4028531

COc1ccc(CCS(=O)(=O)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PTGS2 P35354 1/20 0.54
MMP8 P22894 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
F2RL1 P55085 1/20 0.52
APLNR P35414 1/20 0.52
MAOB P27338 2/20 0.50
CALM1 P0DP23 1/20 0.50
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL17225939 0.86 PTGS2 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL2115708 0.84 CA1 (0.62) CA12CA1CA2CA5ACA9
SCHEMBL31540563 0.84 CA12 (0.53) CA12CA1CA2CA5ACA9
SCHEMBL7303472 0.84 CA12 (0.53) CA12CA1CA2CA5ACA9
SCHEMBL28854259 0.82 MMP8 (0.54) CA12CA1CA2CA5ACA9
Hydrochloric Acid SCHEMBL20551658 0.82 RECQL (0.61) CA12CA1CA2CA5ACA9
SCHEMBL18249746 0.82 ALDH1A1 (0.54) CA12CA1CA2CA5ACA9
SCHEMBL14770119 0.81 CA12 (0.50) CA12CA1CA2CA5ACA9
SCHEMBL30137221 0.81 AOC3 (0.51) CA12CA1CA2CA5ACA9
SCHEMBL10538495 0.81 CA1 (0.58) CA12CA1CA2CA5ACA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
CN-1185213-C Azetidine derivatives, preparation thereof and pharmaceutical compositions AVENTIS PHARMA SA (FR) 2005-01-19 CN disclosed
CN-1423633-A Azetidine derivatives, process for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2003-06-11 CN disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed