SCHEMBL9111024

SCHEMBL9111024

CC(C)C[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
CYP2C19 P33261 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
MMP8 P22894 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
REN P00797 2/20 0.37
FOLH1 Q04609 2/20 0.36

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
SCHEMBL4671426 1.00 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL6830282 0.85 AIMP2 (0.44) ALDH1A1MEN1KMT2AREN
SCHEMBL9113795 0.77 CTSK (0.46) MAPTREN
SCHEMBL8683934 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL28381301 0.73 ALDH1A1 (0.49) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL13956959 0.73 FKBP1A (0.44) KMT2AKDM4ECA2CA1GAA
SCHEMBL66348 0.72 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL15251698 0.72 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL27416542 0.72 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL67049 0.72 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMMP1

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
WO-1995008550-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1995-03-30 WO disclosed