SCHEMBL9727683

SCHEMBL9727683

O=C(O)c1cc(C(=O)O)c2c(C(=O)O)cccc2c1C(=O)O.O=C(O)c1cc2c(C(=O)O)cccc2c(C(=O)O)c1C(=O)O.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
TYMS P04818 1/20 0.38
CDC25B P30305 4/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 4/20 0.37
PTPN1 P18031 1/20 0.36
PARP1 P09874 1/20 0.36
HPGD P15428 2/20 0.35
CDC25A P30304 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ATIC P31939 1/20 0.35
PRNP P04156 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL22996 0.87 NR4A1 (0.47) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL29549755 0.87 NR4A1 (0.47) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL2185918 0.86 NR4A1 (0.53) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL31401652 0.86 NR4A1 (0.53) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL9309059 0.80 NR4A1 (0.52) NR4A1NR4A2NR4A3CDC25BCYP1A2
SCHEMBL31401818 0.77 NR4A1 (0.47) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL3936588 0.77 NR4A1 (0.47) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL464977 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL31401786 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3TYMSCDC25B
SCHEMBL29996206 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3TYMSCDC25B

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