SCHEMBL21038005

SCHEMBL21038005

O=C1CCSc2ccc(Oc3cc(F)cc(F)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.51
ELOC Q15369 1/20 0.51
ELOB Q15370 1/20 0.51
VEGFA P15692 2/20 0.50
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.43
RYR2 Q92736 1/20 0.39
FFAR4 Q5NUL3 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CTSL P07711 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPK14 Q16539 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL29595944 0.78 VHL (0.64) VHLELOCELOBKDM4EHTT
SCHEMBL12743 0.78 VHL (0.64) VHLELOCELOBKDM4EHTT
SCHEMBL29596397 0.77 KDM4E (0.77) VHLELOCELOBKDM4EHTT
SCHEMBL11283 0.77 KDM4E (0.77) VHLELOCELOBKDM4EHTT
SCHEMBL6086566 0.73 VHL (0.50) VHLELOCELOBKDM4EHTT
SCHEMBL16825565 0.71 VEGFA (0.43) VEGFA
SCHEMBL13339009 0.70 VHL (0.50) VHLELOCELOBKDM4EHTT
SCHEMBL5118761 0.69 VHL (0.51) VHLELOCELOBKDM4EHTT
SCHEMBL7222447 0.69 KDM4E (0.63) VHLELOCELOBKDM4EHTT
SCHEMBL10050688 0.69 KDM4E (0.48) VHLELOCELOBKDM4EHTT

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-3083639-B1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2019-05-29 EP disclosed