SCHEMBL9727757

SCHEMBL9727757

O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O.O=C(O)c1ccc(-c2ccc(C(=O)O)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.50
CDC25B P30305 2/20 0.50
CDC25A P30304 1/20 0.50
FOLH1 Q04609 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTPN11 Q06124 2/20 0.43
TDP2 O95551 1/20 0.43
HNF4A P41235 2/20 0.42
ACMSD Q8TDX5 2/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
ATM Q13315 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
SCHEMBL4437852 0.93 KDM4E (0.53) KDM4EHSD17B10CDC25BCDC25AFOLH1
SCHEMBL28222622 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25BCDC25APOLB
SCHEMBL141961 0.86 KDM4E (0.55) KDM4EHSD17B10CDC25BCDC25AFOLH1
SCHEMBL29368917 0.84 BCL2L1 (0.54) KDM4EHSD17B10CDC25BCDC25APOLB
SCHEMBL6866233 0.84 BCL2L1 (0.54) KDM4EHSD17B10CDC25BCDC25APOLB
Hydrochloric Acid SCHEMBL28949814 0.84 KDM4E (0.53) KDM4EHSD17B10CDC25BCDC25AFOLH1
SCHEMBL23861 0.84 KDM4E (0.69) KDM4EHSD17B10CDC25BCDC25APOLB
SCHEMBL30163040 0.84 KDM4E (0.69) KDM4EHSD17B10CDC25BCDC25APOLB
SCHEMBL23279 0.84 KDM4E (0.69) KDM4EHSD17B10CDC25BCDC25APOLB
SCHEMBL29899307 0.84 KDM4E (0.69) KDM4EHSD17B10CDC25BCDC25APOLB

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-5087550-A Polymer procursor and aryl-containing carbonyl compounds BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed