SCHEMBL8296391

SCHEMBL8296391

Bc1cc2c(c(Cl)c1Cl)SCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.44
ELOC Q15369 1/20 0.44
ELOB Q15370 1/20 0.44
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL67587 0.71 VHL (0.54) VHLELOCELOBKDM4EALDH1A1
SCHEMBL30543398 0.71 VHL (0.54) VHLELOCELOBKDM4EALDH1A1
SCHEMBL28387239 0.69 VHL (0.44) VHLELOCELOBKDM4EALDH1A1
SCHEMBL6498053 0.69 VHL (0.40) VHLELOCELOBKDM4EALDH1A1
SCHEMBL6605520 0.69 VHL (0.51) VHLELOCELOBKDM4EALDH1A1
SCHEMBL13890187 0.69 VHL (0.51) VHLELOCELOBKDM4EALDH1A1
SCHEMBL6605669 0.66 KDM4E (0.54) VHLELOCELOBKDM4EALDH1A1
SCHEMBL30543412 0.64 KDM4E (0.41) VHLELOCELOBKDM4EALDH1A1
SCHEMBL29222602 0.64 KDM4E (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 1 patent. 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 disclosed