SCHEMBL9617907

SCHEMBL9617907

O=C(O)c1cc(C(=O)O)c2c(-c3cccc4cccc(C(=O)O)c34)cccc2c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 5/20 0.41
ACMSD Q8TDX5 1/20 0.41
PTPN1 P18031 1/20 0.41
SOS1 Q07889 1/20 0.40
BAD Q92934 4/20 0.39
TYMS P04818 1/20 0.39
GNG2 P59768 1/20 0.39

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
SCHEMBL29549755 0.85 NR4A1 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL22996 0.85 NR4A1 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL30329399 0.82 HSD17B10 (1.00) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL1449076 0.82 HSD17B10 (1.00) HSD17B10NR4A1NR4A2NR4A3CDC25B
Hydrochloric Acid SCHEMBL11166393 0.80 HSD17B10 (0.96) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL3936588 0.75 NR4A1 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL31401818 0.75 NR4A1 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL29054769 0.75 HSD17B10 (0.44) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL9727683 0.75 NR4A1 (0.41) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL183076 0.74 KMT2A (0.55) HSD17B10NR4A1NR4A2NR4A3CDC25B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4279578-A None JP disclosed
JP-4279578-A None JP disclosed
JP-H04279578-A 4,4',5,5'-BINAPHTHYLTETRACARBOXYLIC ACID DIANHYDRIDE AND ITS PRODUCTION MITSUBISHI KASEI CORP 1992-10-05 JP disclosed
JP-H04279578-A 4,4',5,5'-BINAPHTHYLTETRACARBOXYLIC ACID DIANHYDRIDE AND ITS PRODUCTION MITSUBISHI KASEI CORP 1992-10-05 JP disclosed