SCHEMBL11094187

SCHEMBL11094187

Cc1ccc(C2=C(OC(=O)OC(C)C)CC(C)(C)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL11093637 0.91 BRD4 (0.38) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11096758 0.88 KDM4E (0.34) MAPK1KDM4EBRD4OPRM1ALDH1A1
SCHEMBL11098282 0.83 BRD4 (0.37) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11094830 0.81 KDM4E (0.38) KDM4EBRD4ALDH1A1MAPTHPGD
SCHEMBL10735397 0.81 KDM4E (0.37) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11098604 0.81 BRD4 (0.35) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11097162 0.79 BRD4 (0.40) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11096939 0.79 BRD4 (0.31) KDM4EBRD4OPRM1HPGDGLA
SCHEMBL10909040 0.79 BRD4 (0.34) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL10911409 0.78 BRD4 (0.35) KDM4EBRD4OPRM1ALDH1A1MAPT

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-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
Send feedback