SCHEMBL9981672

SCHEMBL9981672

COc1cccc2cc3c(cc12)CCC(=O)C31CC2=CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
S100A4 P26447 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
PNMT P11086 1/20 0.31
RXRA P19793 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9982032 0.96 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10BACE1
SCHEMBL9981871 0.86 ALDH1A1 (0.30) ALDH1A1HPGDHSD17B10
SCHEMBL9981730 0.84
SCHEMBL1739220 0.84
SCHEMBL9982398 0.84
SCHEMBL9982083 0.84 KDM4E (0.31) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9982141 0.83
SCHEMBL9982888 0.82 EDNRB (0.30)
SCHEMBL1739240 0.82 GRM1 (0.31) ALDH1A1HPGD
SCHEMBL9981432 0.82 ALDH1A1 (0.30) ALDH1A1HPGDHSD17B10

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed