SCHEMBL20032317

SCHEMBL20032317

O=C(O)c1ccc2cc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C(=O)O)ccc6c5)cc4)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
AKR1C3 P42330 1/20 0.51
SRD5A2 P31213 3/20 0.50
PARP10 Q53GL7 2/20 0.49
PARP15 Q460N3 1/20 0.49
XDH P47989 1/20 0.46
TTR P02766 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHEK2 O96017 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RARA P10276 1/20 0.44

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
SCHEMBL20024690 0.91 KDM4E (0.50) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL8080613 0.91 KDM4E (0.69) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL20024752 0.90 PARP10 (0.58) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL9781486 0.89 KDM4E (0.67) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL20032247 0.87 PARP10 (0.62) SRD5A2PARP10PARP15XDHPARP3
SCHEMBL18545874 0.85 KDM4E (0.67) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL24413696 0.83 KDM4E (0.59) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL2311164 0.83 KDM4E (0.59) KDM4EAKR1C3SRD5A2PARP10PARP15
SCHEMBL22553031 0.81 PLG (0.66) KDM4ESRD5A2TTRCYP1B1SRD5A1
SCHEMBL6405694 0.79 SRD5A2 (0.65) KDM4EAKR1C3SRD5A2PARP10PARP15

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-10655029-B2 Inkjet ink and coloring composition RICOH COMPANY, LTD. (JP) 2020-05-19 US disclosed
US-20180094155-A1 INKJET INK AND COLORING COMPOSITION RICOH COMPANY, LTD. (JP) 2018-04-05 US disclosed