SCHEMBL5301637

SCHEMBL5301637

CC(=O)Oc1cc(C)cc(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 5/20 0.47
ELANE P08246 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.40
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BACE1 P56817 1/20 0.38
ACHE P22303 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FABP3 P05413 1/20 0.36

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
SCHEMBL11421086 0.88 LMNA (0.43) LMNAKDM4EELANEPOLBCYP19A1
SCHEMBL16957884 0.86 LMNA (0.47) LMNAKDM4EELANEALDH1A1POLB
SCHEMBL5836310 0.84 KDM4E (0.49) LMNAKDM4EALDH1A1POLBHTT
SCHEMBL5301635 0.82 KDM4E (0.48) LMNAKDM4EALDH1A1POLBHTT
SCHEMBL593772 0.82 LMNA (0.63) LMNAKDM4EELANEALDH1A1POLB
SCHEMBL1701666 0.82 LMNA (0.63) LMNAKDM4EELANEALDH1A1POLB
Promecarb SCHEMBL6738371 0.81 ACHE (0.48) LMNAKDM4EALDH1A1POLBHTT
Promecarb SCHEMBL29895286 0.81 ACHE (0.48) LMNAKDM4EALDH1A1POLBHTT
Promecarb SCHEMBL121314 0.81 ACHE (0.48) LMNAKDM4EALDH1A1POLBHTT
SCHEMBL16954524 0.80 CYP19A1 (0.38) LMNAKDM4EELANEPOLBCYP19A1

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 3 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO disclosed