SCHEMBL11091234

SCHEMBL11091234

CCCCC(CC)COC(=O)OC1=C(c2ccccc2Cl)C(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CA2 P00918 1/20 0.46
▸ LMNA P02545 3/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RECQL P46063 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33

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
SCHEMBL11098816 0.88 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11097880 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11094582 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11089293 0.78 HSP90AA1 (0.42) ALDH1A1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL11099863 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10736061 0.72 GAA (0.39) CA2LMNAL3MBTL1TSHRATM
SCHEMBL11177661 0.72 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.71 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28023159 0.71 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.71 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1

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
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