SCHEMBL8220033

SCHEMBL8220033

CCCCOc1ccc(OCCC)c(OCCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ NQO1 P15559 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
SCHEMBL8224344 0.98 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL8227403 0.92 L3MBTL1 (0.43) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL8223215 0.92 CYP1A2 (0.47) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL1984241 0.89 CYP1A2 (0.52) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL8225071 0.86 L3MBTL1 (0.47) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL5034227 0.80 LMNA (0.44) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL24661358 0.79 CYP1A2 (0.47) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL8216828 0.79 CYP1A2 (0.38) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL5032298 0.78 LMNA (0.43) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL30957371 0.78 ESR1 (0.49) ALDH1A1KDM4ELMNAMAPTNPSR1

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-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 — — US disclosed
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