SCHEMBL8145254

SCHEMBL8145254

O=[C]c1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.62
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
CDC25B P30305 3/20 0.46
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
TBXAS1 P24557 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 3/20 0.42
SOS1 Q07889 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GFER P55789 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
SCHEMBL7666237 0.85 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL689994 0.85 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL29600450 0.81 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL71960 0.81 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL9668753 0.81 NR4A1 (0.53) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL30367135 0.79 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL71261 0.79 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3CDC25B
Hydrochloric Acid SCHEMBL4607125 0.79 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL2708593 0.79 PTPN1 (0.53) PTPN1NR4A1NR4A2NR4A3CDC25B
Hydrochloric Acid SCHEMBL6847145 0.77 PTPN1 (0.63) PTPN1NR4A1NR4A2NR4A3CDC25B

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
EP-0735019-B1 Retroviral protease inhibitors MONSANTO CO (US) 2000-09-20 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed