SCHEMBL4101784

SCHEMBL4101784

COc1ccccc1OCC1=C(C(=O)OCc2cccc(C#N)c2)C(c2ccc3c(c2)NC(=O)CO3)NC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL3940676 0.92 HTT (0.40) LMNAGAATSHRBLMCTDSP1
SCHEMBL3950666 0.90 LMNA (0.44) LMNAGAATSHRBLMHTT
SCHEMBL3944456 0.88 GAA (0.49) LMNAGAATSHRBLMCTDSP1
SCHEMBL3943108 0.87 GAA (0.44) LMNAGAATSHRBLMCTDSP1
SCHEMBL3950421 0.86 GAA (0.49) GAATSHRBLMCTDSP1PKM
SCHEMBL3947163 0.86 LMNA (0.40) LMNAGAATSHRBLMHTT
SCHEMBL3946046 0.86 CTDSP1 (0.43) LMNATSHRCTDSP1HTTKDM4E
SCHEMBL3944723 0.84 SMN1; SMN2 (0.40) LMNATSHRHTTKMT2AALDH1A1
SCHEMBL13942589 0.83 TSHR (0.45) LMNAGAATSHRHTTKDM4E
SCHEMBL3942061 0.83 TSHR (0.45) LMNAGAATSHRHTTKDM4E

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed