SCHEMBL11096758

SCHEMBL11096758

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP2C19 P33261 1/20 0.30
▸ TP53 P04637 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
SCHEMBL11094187 0.88 MAPK1 (0.35) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11096938 0.86 HTR1A (0.32) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL11098815 0.83 TP53 (0.35) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11093637 0.82 BRD4 (0.38) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11098282 0.80 BRD4 (0.37) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10913686 0.79 FAAH (0.34) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11097162 0.78 BRD4 (0.40) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11098604 0.77 BRD4 (0.35) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10735397 0.77 KDM4E (0.37) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL11090700 0.77 ADORA3 (0.38) KDM4EALDH1A1MAPTKMT2AMEN1

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