SCHEMBL20024752

SCHEMBL20024752

O=Cc1ccc(Oc2ccc3cc(C(=O)O)ccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.58
PARP3 Q9Y6F1 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
AKR1C3 P42330 1/20 0.49
UNG P13051 1/20 0.46
PARP15 Q460N3 1/20 0.46
SRD5A2 P31213 3/20 0.45
MAPT P10636 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK2 O96017 1/20 0.43
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL20032317 0.90 KDM4E (0.59) PARP10PARP3KDM4EAKR1C3PARP15
SCHEMBL8080613 0.88 KDM4E (0.69) PARP10ALDH1A1KDM4EAKR1C3PARP15
SCHEMBL1448984 0.86 ALDH1A1 (0.76) PARP10PARP3ALDH1A1KDM4EPARP15
SCHEMBL9781486 0.86 KDM4E (0.67) PARP10KDM4EAKR1C3PARP15SRD5A2
SCHEMBL20024690 0.85 KDM4E (0.50) PARP10PARP3KDM4EAKR1C3PARP15
SCHEMBL758230 0.84 AKR1C3 (0.72) PARP10PARP3ALDH1A1KDM4EAKR1C3
SCHEMBL30196606 0.83 ALDH1A1 (0.63) PARP10PARP3ALDH1A1KDM4EUNG
SCHEMBL691707 0.83 ALDH1A1 (0.63) PARP10PARP3ALDH1A1KDM4EUNG
SCHEMBL18545874 0.83 KDM4E (0.67) PARP10KDM4EAKR1C3PARP15SRD5A2
SCHEMBL8548906 0.81 PARP10 (0.52) PARP10PARP3ALDH1A1KDM4EMAPT

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-20180094155-A1 INKJET INK AND COLORING COMPOSITION RICOH COMPANY, LTD. (JP) 2018-04-05 US disclosed