SCHEMBL5311692

SCHEMBL5311692

O=C(O)c1ccc(C(=O)O)c(C(=O)c2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
CDC25B P30305 2/20 0.61
CDC25A P30304 1/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TSHR P16473 2/20 0.50
SRD5A2 P31213 2/20 0.50
TP53 P04637 1/20 0.50
MYC P01106 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
PTGS2 P35354 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL2058646 0.92 KDM4E (0.79) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL598423 0.91 KDM4E (0.85) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL29921802 0.91 KDM4E (0.85) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL30163040 0.90 KDM4E (0.69) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL29350135 0.90 KDM4E (0.69) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL29899307 0.90 KDM4E (0.69) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL23279 0.90 KDM4E (0.69) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL23861 0.90 KDM4E (0.69) KDM4ECDC25BCDC25AHSD17B10POLB
Water SCHEMBL8167595 0.88 KDM4E (0.67) KDM4ECDC25BCDC25AHSD17B10POLB
SCHEMBL2702926 0.88 KDM4E (0.67) KDM4ECDC25BCDC25AHSD17B10POLB

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
WO-2007044184-A1 WATER SOLUBLE PHOTOINITIATOR ALBEMARLE CORPORATION (US) 2007-04-19 WO disclosed