SCHEMBL27524820

SCHEMBL27524820

Cc1cc(C=CC(=O)O)ccc1O.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
HSD17B10 Q99714 3/20 0.68
CA12 O43570 3/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA3 P07451 3/20 0.68
CA4 P22748 3/20 0.68
CA6 P23280 3/20 0.68
CA5A P35218 3/20 0.68
CA7 P43166 3/20 0.68
CA9 Q16790 3/20 0.68
CA14 Q9ULX7 3/20 0.68
CA5B Q9Y2D0 3/20 0.68
AKR1B10 O60218 3/20 0.68
AKR1B1 P15121 3/20 0.68
DPP4 P27487 3/20 0.68
BACE1 P56817 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
MAPK1 P28482 2/20 0.68

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
SCHEMBL27524817 1.00 KDM4E (0.68) KDM4EHSD17B10CA12CA1CA2
SCHEMBL471934 0.98 KDM4E (0.70) KDM4EHSD17B10CA12CA1CA2
SCHEMBL471935 0.98 KDM4E (0.70) KDM4EHSD17B10CA12CA1CA2
SCHEMBL15481424 0.85 BACE1 (0.66) KDM4EHSD17B10CA12CA1CA2
SCHEMBL12220501 0.84 IAPP (0.73) KDM4EHSD17B10CA12CA1CA2
SCHEMBL14472602 0.84 KDM4E (0.70) KDM4EHSD17B10CA12CA1CA2
Caffeic Acid SCHEMBL9477179 0.83 KDM4E (0.96) KDM4EHSD17B10CA12CA1CA2
Caffeic Acid SCHEMBL9477189 0.83 KDM4E (0.96) KDM4EHSD17B10CA12CA1CA2
SCHEMBL111230 0.83 KDM4E (0.58) KDM4EHSD17B10CA12CA1CA2
SCHEMBL584596 0.83 KDM4E (0.58) KDM4EHSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289074-C Method for preparing sodium ferulate sterilized raw-material medicine YAOYOU PHARMACEUTICAL CO LTD C (CN) 2006-12-13 CN disclosed
CN-1742713-A Method for preparing sodium ferulate sterilized raw-material medicine YAOYOU PHARMACEUTICAL CO LTD C (CN) 2006-03-08 CN disclosed