SCHEMBL9728967

SCHEMBL9728967

O=C(O)c1cc(O)c(O)c(C=Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CA3 P07451 1/20 0.52
MAPT P10636 1/20 0.52
SELL P14151 1/20 0.52
HPGD P15428 1/20 0.52
SELP P16109 1/20 0.52
FUT4 P22083 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
DPP4 P27487 1/20 0.52
MAPK1 P28482 1/20 0.52
CA5A P35218 1/20 0.52
SNCA P37840 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL7035797 0.83 LMNA (0.56) KDM4ECA12CA1CA2LMNA
SCHEMBL7035796 0.83 LMNA (0.56) KDM4ECA12CA1CA2LMNA
Gallic Acid SCHEMBL28677301 0.80 HDAC3 (0.63) KDM4ECA12ALDH1A1CA1CA2
SCHEMBL27677458 0.79 PTPN1 (0.76) KDM4EALDH1A1TP53MAPTHPGD
Gallic Acid SCHEMBL3906997 0.79 ALDH1A1 (0.58) KDM4ECA12ALDH1A1CA1CA2
Gallic Acid SCHEMBL3906993 0.79 ALDH1A1 (0.58) KDM4ECA12ALDH1A1CA1CA2
SCHEMBL12685889 0.78 CHAT (0.49) KDM4ECA12ALDH1A1CA1CA2
Pinosylvin SCHEMBL3624892 0.77 LCK (0.56) KDM4ECA12ALDH1A1CA1CA2
Pinosylvin SCHEMBL3624890 0.77 LCK (0.56) KDM4ECA12ALDH1A1CA1CA2
SCHEMBL7139129 0.77 TRPA1 (0.59) KDM4EPTPN1TRPA1HNF4ATTR

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
US-5126444-A Antibiotics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 US disclosed
US-5064824-A CEPHALOSPORIN COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-12 US disclosed