SCHEMBL28211489

SCHEMBL28211489

O=C(O)c1ccc(-c2ccc(O)cc2)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA6 P23280 3/20 0.58
CA9 Q16790 3/20 0.58
CA4 P22748 2/20 0.58
CA7 P43166 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA3 P07451 1/20 0.58
TYR P14679 1/20 0.58
DRD1 P21728 1/20 0.58
CA5A P35218 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
PTGS2 P35354 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL26981142 0.94 KDM4E (0.64) HSD17B10CA12CA1CA2CA6
SCHEMBL3238016 0.92 CA12 (0.61) HSD17B10CA12CA1CA2CA6
SCHEMBL6058606 0.88 HSD17B10 (0.58) HSD17B10CA12CA1CA2CA6
SCHEMBL5652175 0.88 ALOX5 (0.61) HSD17B10CA12CA1CA2CA6
SCHEMBL8090731 0.86 MMP2 (0.61) HSD17B10MAPTPOLBL3MBTL1SRD5A2
SCHEMBL3663963 0.86 POLB (0.59) HSD17B10CA12CA1CA2CA6
SCHEMBL5937383 0.85 SRD5A2 (0.58) CA12CA1CA2CA6CA9
SCHEMBL2788717 0.85 HSD17B10 (0.76) HSD17B10CA12CA1CA2CA6
SCHEMBL4428101 0.85 BCL2L1 (0.62) HSD17B10CA12CA1CA2CA6
SCHEMBL2558827 0.85 HSD17B1 (0.57) HSD17B10CA12CA1CA2CA6

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-107973717-A Polymerizable compound and its purposes in a liquid crystal display 默克专利股份有限公司 2018-05-01 CN disclosed