SCHEMBL11719239

SCHEMBL11719239

CCOC(=O)C(Oc1cccc(Br)c1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAOB P27338 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5118416 0.85 L3MBTL1 (0.52) KDM4EHSD17B10ALDH1A1LMNAL3MBTL1
SCHEMBL11717559 0.84 KMT2A (0.49) KDM4EALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11713591 0.81 HSD17B10 (0.52) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL18343124 0.80 HSD17B10 (0.45) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL11716292 0.79 MMP1 (0.46) LMNAL3MBTL1TDP1MAOB
SCHEMBL11711873 0.78 TDP1 (0.56) LMNAL3MBTL1MAPTTDP1KMT2A
SCHEMBL11714106 0.78 KMT2A (0.51) ALDH1A1LMNAL3MBTL1MAPTTDP1
SCHEMBL23124732 0.77 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL11718996 0.76 LMNA (0.52) ALDH1A1LMNAL3MBTL1TDP1KMT2A
SCHEMBL11716995 0.76 TAS1R3 (0.49) KDM4EHSD17B10ALDH1A1LMNAL3MBTL1

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-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed