SCHEMBL6553033

SCHEMBL6553033

CCCCC(CC)Cc1c(C=CC(=O)O)ccc(O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.38
LMNA P02545 2/20 0.37
CA2 P00918 4/20 0.36
KDM4E B2RXH2 4/20 0.36
CA1 P00915 3/20 0.36
CA4 P22748 3/20 0.36
CA12 O43570 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CSNK2A2 P19784 1/20 0.36
SNCA P37840 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL2931781 0.83 ESR1 (0.47) ESR1CA2KDM4ECA1CA4
SCHEMBL27861984 0.81 ALOX5 (0.48) TDP1ESR1TRPV1
SCHEMBL1405663 0.79 KDM4E (0.46) TDP1ESR1CA2KDM4ECA1
SCHEMBL3976762 0.78 CA1 (0.41) ESR1CA2KDM4ECA1CA4
SCHEMBL28238937 0.77 CA1 (0.45) TDP1ESR1CA2KDM4ECA1
SCHEMBL26046329 0.77 CA1 (0.46) TDP1ESR1CA2KDM4ECA1
SCHEMBL126603 0.76 TDP1 (0.49) TDP1NFKB1ALDH1A1MAPTMEN1
SCHEMBL28562265 0.76 KDM4E (0.40) TDP1ESR1CA2KDM4ECA1
SCHEMBL3209414 0.76 TDP1 (0.49) TDP1NFKB1ALDH1A1MAPTMEN1
SCHEMBL19126963 0.76 CA1 (0.42) ESR1CA2KDM4ECA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681825-B1 Ferulic acid ester antioxidant/UV absorbent TSUNO FOOD IND CO LTD (JP) 2004-02-11 EP disclosed
US-5908615-A Ferulic acid ester antioxidant/UV absorbent TSUNO FOOD INDUSTRIAL CO., LTD. (JP) 1999-06-01 US disclosed
US-5688991-A Ferulic acid ester antioxidant/UV absorbent TSUNO FOOD INDUSTRIAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0681825-A2 Ferulic acid ester antioxidant/UV absorbent TSUNO FOOD INDUSTRIAL CO., LTD. (JP) 1995-11-15 EP disclosed