SCHEMBL8864481

SCHEMBL8864481

CC(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 4/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.46
CASP1 P29466 3/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR2 O95136 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
MAPK10 P53779 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7430419 0.84 POLB (0.44) HSD17B10KMT2AMAPTHTTGAA
Hydrochloric Acid SCHEMBL1131404 0.83 POLB (0.43) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL10941837 0.77 KDM4E (0.49) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL10624847 0.77 KDM4E (0.52) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL9596191 0.76 HTT (0.47) HSD17B10MAPTHTTGAATP53
SCHEMBL2910532 0.76 POLB (0.62) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL9121576 0.75 HTT (0.39) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL11183137 0.75 KMT2A (0.48) HSD17B10KMT2AMAPTHTTGAA
SCHEMBL721909 0.74 HTT (0.59) HSD17B10MAPTHTTGAATP53
SCHEMBL8714027 0.74 GAA (0.47) HSD17B10KMT2AMAPTHTTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674876-A ANTIPROLIFERATIVE,-CARCINOGENIC AND -TUMOR AGENTS; SKIN DISORDERS; FREE RADICAL SCAVENGERS RESEARCH DEVELOPMENT FOUNDATION (US) 1997-10-07 US disclosed
WO-1996022089-A1 p-HETEROATOM-SUBSTITUTED PHENOLS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1996-07-25 WO disclosed