SCHEMBL5789698

SCHEMBL5789698

COc1cccc(C(=O)[CH][C@H](C)CC(C)(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
NFE2L2 Q16236 2/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6559923 0.83 CA12 (0.45) KMT2ANFE2L2SMN1; SMN2KDM4EALDH1A1
SCHEMBL8007043 0.76 KMT2A (0.41) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL5788912 0.76 KMT2A (0.41) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL5792129 0.75 HPGD (0.42) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL6635025 0.74 NPC1 (0.50) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL8007048 0.73 HPGD (0.41) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL10641160 0.70 USP2 (0.51) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL3762150 0.69 RAB9A (0.55) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL7647783 0.69 HPGD (0.39) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL14903555 0.69 HPGD (0.49) KMT2AGAAHSD17B10HPGDPOLB

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-2006006712-A1 METHOD FOR PRODUCTION OF CEMENT DISPERSANT AND POLYCARBOXYLIC ACID TYPE POLYMER FOR CEMENT DISPERSANT NIPPON SHOKUBAI CO., LTD. (JP) 2006-01-19 WO disclosed