SCHEMBL6498053

SCHEMBL6498053

O=C1CCSc2c1c[c]c(Cl)c2Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL8470635 0.71 VHL (0.46) VHLELOCELOBKDM4EALDH1A1
SCHEMBL8296391 0.69 VHL (0.44) VHLELOCELOBKDM4EALDH1A1
SCHEMBL30543398 0.64 VHL (0.54) VHLELOCELOBKDM4EALDH1A1
SCHEMBL10464 0.64 MAPT (0.46) VHLELOCELOBKDM4EALDH1A1
SCHEMBL23977277 0.62 VHL (0.44) VHLELOCELOBKDM4EALDH1A1
SCHEMBL6605520 0.62 VHL (0.51) VHLELOCELOBKDM4EALDH1A1
SCHEMBL28387239 0.62 VHL (0.44) VHLELOCELOBKDM4EALDH1A1
SCHEMBL13890187 0.62 VHL (0.51) VHLELOCELOBKDM4EALDH1A1
SCHEMBL10364205 0.59 VHL (0.62) VHLELOCELOBKDM4EALDH1A1
SCHEMBL8346491 0.59 VHL (0.41) VHLELOCELOBKDM4EALDH1A1

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed