SCHEMBL27436614

SCHEMBL27436614

O=Cc1ccc(/C=C/C(=O)O)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 3/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA3 P07451 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
DPP4 P27487 2/20 0.56
HDAC3 O15379 2/20 0.56
HPGD P15428 2/20 0.56

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
SCHEMBL6644081 0.85 KDM4E (0.68) KDM4EHSD17B10CA12CA1CA2
SCHEMBL6640901 0.85 KDM4E (0.68) KDM4EHSD17B10CA12CA1CA2
SCHEMBL8746656 0.84 KDM4E (0.60) KDM4EHSD17B10CA12CA1CA2
SCHEMBL8746658 0.84 KDM4E (0.60) KDM4EHSD17B10CA12CA1CA2
SCHEMBL1319956 0.84 MIF (0.56) KDM4EHSD17B10CA12CA1CA2
SCHEMBL1319955 0.84 MIF (0.56) KDM4EHSD17B10CA12CA1CA2
SCHEMBL28866620 0.84 ITGB2 (0.55) KDM4EHSD17B10CA12CA1CA2
SCHEMBL16273308 0.81 EGFR (0.58) KDM4EHSD17B10CA12CA1CA2
SCHEMBL15111041 0.80 KDM4E (0.71) KDM4EHSD17B10CA12CA1CA2
SCHEMBL15111043 0.80 KDM4E (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218166-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE TOYO TIRE CORPORATION (JP) 2024-07-04 US disclosed