SCHEMBL27718810

SCHEMBL27718810

CC(C)OC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.60
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
CHRM2 P08172 3/20 0.51
CHRM4 P08173 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL2859436 0.84 KLK7 (0.57) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL360678 0.84 KLK7 (0.66) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL2859574 0.84 KLK7 (0.57) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL360679 0.84 KLK7 (0.66) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL2864946 0.84 KLK7 (0.57) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL15866633 0.83 TDP1 (0.51) KLK7L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL17965729 0.83 SRC (0.52) KLK7L3MBTL1ALDH1A1LMNACYP2D6
SCHEMBL2294892 0.83 TDP1 (0.51) KLK7L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL12047330 0.82 KLK7 (0.64) KLK7POLBL3MBTL1TDP1CHRM1
SCHEMBL4485798 0.82 LMNA (0.54) KLK7TDP1CHRM1CHRM3CHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850072-A Safe preparation method of raw fenisobromolate 江苏禾本生化有限公司 2023-03-28 CN claimed
CN-100526286-C Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2009-08-12 CN claimed
CN-101143825-A Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2008-03-19 CN claimed
CN-100526286-C Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2009-08-12 CN disclosed
CN-101143825-A Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2008-03-19 CN disclosed