SCHEMBL9607632

SCHEMBL9607632

O=C1CCSc2c(O)ccc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
DRD1 P21728 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
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
SCHEMBL23861146 0.86 VHL (0.37) VHLELOCELOBCYP3A4MAPK1
SCHEMBL8346491 0.85 VHL (0.41) VHLELOCELOBMEN1KMT2A
SCHEMBL10050691 0.85 AURKA (0.37) VHLELOCELOBCYP3A4MAPK1
SCHEMBL91636 0.79 CES1 (0.38) VHLELOCELOBHTTALDH1A1
SCHEMBL7489687 0.75 VHL (0.32) VHLELOCELOB
SCHEMBL5450432 0.74 ABL1 (0.37) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL31028896 0.72 VHL (0.37) VHLELOCELOB
SCHEMBL5228012 0.72 CUL4A (0.37) VHLELOCELOBMEN1KMT2A
SCHEMBL10033667 0.72 CYP11B2 (0.39) VHLELOCELOBHTTALDH1A1
SCHEMBL18434595 0.72 ALDH1A1 (0.37) MAPK1MEN1KMT2AHTTALDH1A1

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
EP-2457963-A1 Ink set, ink jet recording method, and ink jet recording apparatus Fujifilm Corporation (JP) 2012-05-30 EP disclosed