SCHEMBL28860271

SCHEMBL28860271

O=C(O)c1cccc2cccc(O)c12.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
HPGD P15428 2/20 0.56
HMGB1 P09429 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
G6PD P11413 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL29940636 0.98 HSD17B10 (0.67) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL689259 0.98 HSD17B10 (0.67) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL28221447 0.96 HSD17B10 (0.64) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL12486671 0.90 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL27831654 0.87 HSD17B10 (0.75) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL28609543 0.87 HSD17B10 (0.75) HSD17B10ALDH1A1KDM4ECA12CA1
Benzene SCHEMBL28110156 0.84 HSD17B10 (0.78) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL7624693 0.84 HSD17B10 (0.78) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL29404347 0.84 HSD17B10 (0.78) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL68291 0.84 HSD17B10 (0.78) HSD17B10ALDH1A1KDM4ECA12CA1

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-108033932-A A kind of preparation method of Styryl oxide 万华化学集团股份有限公司 2018-05-15 CN disclosed