SCHEMBL29439802

SCHEMBL29439802

COC(=O)c1cc(C(=O)c2ccc(C(=O)OC)c(C(=O)OC(C)(C)C)c2)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
ELANE P08246 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2280244 0.93 ELANE (0.47) KDM4EALDH1A1HSD17B10ELANECA12
SCHEMBL2874165 0.92 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29439795 0.89 ELANE (0.47) ELANECA12CA1CA2CA9
SCHEMBL6784000 0.88 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL828480 0.84 GABRA1 (0.48) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL476529 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29413740 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL10021853 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29413756 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1005452 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10MAPT

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-109476926-B Polymer composition 日产化学株式会社 2022-03-04 CN disclosed