SCHEMBL5300327

SCHEMBL5300327

Cc1cccc(C(OC(c2cccc(C)c2)c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MDM4 O15151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CA5A P35218 1/20 0.39
HTT P42858 1/20 0.39
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5290281 0.91 ACHE (0.39) ACHEHDAC4HDAC8AOC3ALDH1A1
SCHEMBL99347 0.85 ACHE (0.55) ACHEHDAC4HDAC8AOC3ALDH1A1
SCHEMBL29352930 0.85 ACHE (0.55) ACHEHDAC4HDAC8AOC3ALDH1A1
SCHEMBL5490186 0.85 ACHE (0.55) ACHEHDAC4HDAC8AOC3ALDH1A1
Ethane SCHEMBL27276168 0.83 ACHE (0.52) ACHEHDAC4HDAC8AOC3ALDH1A1
Ethylene SCHEMBL27389241 0.81 ACHE (0.50) ACHEHDAC4HDAC8AOC3ALDH1A1
Hydrogen Peroxide SCHEMBL6284866 0.81 ACP3 (0.53) ACHEHDAC4HDAC8AOC3ALDH1A1
Isopropylbenzene SCHEMBL22653317 0.79 ACP3 (0.52) ACHEHDAC4HDAC8AOC3ALDH1A1
SCHEMBL5300324 0.79 LMNA (0.38) ACP3LMNA
P-Cymene SCHEMBL11809526 0.78 ACHE (0.46) ACHEHDAC4HDAC8AOC3ALDH1A1

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
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO claimed
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO disclosed