SCHEMBL17813702

SCHEMBL17813702

C=C(C)c1cccc2cccc(C(=O)I)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
PTK2B Q14289 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CLCN2 P51788 1/20 0.33
PLK1 P53350 1/20 0.33
TYMS P04818 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 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
SCHEMBL30226846 0.86 HSD17B10 (0.41) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL1041519 0.86 HSD17B10 (0.41) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL13837650 0.85 HSD17B10 (0.42) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL10070164 0.79 KDM4E (0.41) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL27414872 0.79 ALDH1A1 (0.44) HSD17B10KDM4EMAPTALDH1A1MEN1
SCHEMBL7764568 0.77 CNR1 (0.39) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL1506777 0.75 MAPT (0.45) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL5036714 0.74 GABRA1 (0.42) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL8974252 0.74 KDM4E (0.50) HSD17B10KDM4EMAPTTDP1ALDH1A1
SCHEMBL2487112 0.73 HSD17B10 (0.50) HSD17B10KDM4EMAPTTDP1ALDH1A1

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-2016089565-A1 MIXED PHOSPHORUS ESTERS FOR LUBRICANT APPLICATIONS THE LUBRIZOL CORPORATION (US) 2016-06-09 WO disclosed