SCHEMBL8004043

SCHEMBL8004043

CC1(C)OC(c2ccc(I)cc2)=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.36
DRD2 P14416 1/20 0.36
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
GRIN2D O15399 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
SCHEMBL12169135 0.83 SIGMAR1 (0.37) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL1419929 0.81 ALDH1A1 (0.49) SIGMAR1DRD2HPGDKDM4EHCAR2
SCHEMBL7897120 0.81 SIGMAR1 (0.36) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL9875527 0.81 SIGMAR1 (0.51) SIGMAR1DRD2HPGDKDM4EHCAR3
SCHEMBL6999022 0.79 PTGS2 (0.41) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL286520 0.79 HPGD (0.55) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL286625 0.78 SIGMAR1 (0.36) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL286370 0.77 MAPT (0.38) SIGMAR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7001594 0.77 SIGMAR1 (0.34) SIGMAR1DRD2HPGDKDM4EALDH1A1
SCHEMBL1419953 0.77 HSD17B10 (0.41) ALDH1A1TDP1MEN1MAPTMAPK1

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-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed