SCHEMBL874582

SCHEMBL874582

COc1ccc(N([C@@H](CCO)C(=O)OCc2ccccc2)S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 7/20 0.47
NFE2L2 Q16236 7/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.41
ATM Q13315 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL874581 1.00 LMNA (0.48) LMNAPOLBRAB9ASMN1; SMN2KEAP1
SCHEMBL877444 0.78 HPGD (0.50) LMNAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9407909 0.71 CA1 (0.42) LMNAPOLBRAB9ASMN1; SMN2KEAP1
SCHEMBL876385 0.70 MMP2 (0.59) LMNAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL20858214 0.70 EPOR (0.49) LMNAALDH1A1KMT2A
SCHEMBL7862144 0.68 MMP13 (0.48) LMNARAB9AKEAP1NFE2L2CA1
Anisole SCHEMBL28957823 0.68 ALDH1A1 (0.53) RAB9ASMN1; SMN2CA1CA2ACHE
SCHEMBL28241478 0.68 SMN1; SMN2 (0.46) LMNAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL22028109 0.68 LTA4H (0.58) POLBRAB9ASMN1; SMN2ACHEALDH1A1
SCHEMBL1521953 0.68 LTA4H (0.58) POLBRAB9ASMN1; SMN2ACHEALDH1A1

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed