SCHEMBL9219804

SCHEMBL9219804

COC(=O)c1[nH]c(C)cc1C(C)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
XDH P47989 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 2/20 0.36
ULK1 O75385 1/20 0.35
MAPK14 Q16539 2/20 0.35
RAF1 P04049 1/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL23923776 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10XDH
SCHEMBL16240346 0.70 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2404221 0.69 CYP1A2 (0.36) KDM4EALDH1A1HPGDHSD17B10XDH
SCHEMBL10308264 0.69 MAPK14 (0.49) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL3281275 0.68 GAA (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3146885 0.68 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8203695 0.67 NPSR1 (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL3579630 0.66 FABP3 (0.42)
SCHEMBL9219794 0.66 MAPT (0.36) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL12021082 0.65 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT

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
US-5409900-A Treatment of cancer tumors, psoriasis; purification of blood CYTOPHARM, INC. (US) 1995-04-25 US disclosed