SCHEMBL27911913

SCHEMBL27911913

CCC(O)(c1ccc(OC)cc1)c1ccc(OC)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TYR P14679 2/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 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
SCHEMBL6935441 0.81 LMNA (0.49) AOC3ALDH1A1LMNAHTTNPSR1
SCHEMBL2283728 0.76 NPC1 (0.41) AOC3ALDH1A1GAANPC1RAB9A
SCHEMBL10356413 0.75 ESR1 (0.42) LMNAHTTNPSR1SMN1; SMN2ESR2
SCHEMBL10356402 0.75 KIF11 (0.42) CYP3A4ESR2
SCHEMBL10356747 0.75 ESR1 (0.39) LMNAHTTTYRCYP3A4SMN1; SMN2
SCHEMBL28076974 0.75 KIF11 (0.54) LMNAHTTNPSR1SMN1; SMN2LTA4H
SCHEMBL28076975 0.75 KIF11 (0.54) LMNAHTTNPSR1SMN1; SMN2LTA4H
SCHEMBL10356346 0.74 ESR1 (0.39) ALDH1A1LMNAHTTTYRCYP3A4
SCHEMBL28076784 0.73 NFE2L2 (0.47) AOC3ALDH1A1GAANPC1RAB9A
SCHEMBL28076786 0.73 NFE2L2 (0.47) AOC3ALDH1A1GAANPC1RAB9A

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
CN-101691324-B Method for preparing 3-(2-hydroxy-4-methoxyphenyl)-1-(4-methoxy)-1-propanol UNIV SHANGHAI 2013-04-03 — — CN claimed
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