SCHEMBL8225071

SCHEMBL8225071

CCCCCOc1ccc(OCC)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.47
▸ MCHR1 Q99705 2/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR5A1 Q13285 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL8227403 0.94 L3MBTL1 (0.43) L3MBTL1MCHR1ESR1CYP1A2CYP2C9
SCHEMBL8223215 0.94 CYP1A2 (0.47) L3MBTL1MCHR1ESR1CYP1A2CYP2C9
SCHEMBL8224344 0.88 ALDH1A1 (0.43) L3MBTL1MCHR1ESR1CYP1A2CYP2C9
SCHEMBL8220033 0.86 ALDH1A1 (0.44) L3MBTL1MCHR1ESR1CYP1A2CYP2C9
SCHEMBL9196941 0.84 ALDH1A1 (0.48) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL15120821 0.83 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL1984241 0.82 CYP1A2 (0.52) L3MBTL1MCHR1ESR1CYP1A2CYP2C9
SCHEMBL27859464 0.82 L3MBTL1 (0.37) L3MBTL1NR5A1MAPTALDH1A1MEN1
SCHEMBL19160761 0.82 L3MBTL1 (0.55) L3MBTL1ESR1CYP1A2CYP2C19NR5A1
SCHEMBL19160563 0.82 L3MBTL1 (0.55) L3MBTL1ESR1CYP1A2CYP2C19NR5A1

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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