SCHEMBL9714537

SCHEMBL9714537

O=C(O)c1cc(C(=O)O)c2ccccc2c1.O=C(O)c1ccc(C(=O)O)c2ccccc12.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(O)c1ccc2ccc(C(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.62
HSD17B10 Q99714 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2C Q14957 1/20 0.47
WDR5 P61964 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
LDHA P00338 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL14167531 0.89 PTPN1 (0.61) PTPN1HSD17B10NR4A1NR4A2NR4A3
SCHEMBL7744431 0.87 PTPN1 (0.62) PTPN1HSD17B10NR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL8775062 0.86 PTPN1 (0.61) PTPN1HSD17B10NR4A1NR4A2NR4A3
SCHEMBL29406969 0.86 PTPN1 (0.65) PTPN1HSD17B10NR4A1NR4A2NR4A3
SCHEMBL70654 0.86 PTPN1 (0.65) PTPN1HSD17B10NR4A1NR4A2NR4A3
Beta-Naphtoic Acid SCHEMBL6952554 0.84 PTPN1 (0.75) PTPN1HSD17B10NR4A1NR4A2NR4A3
SCHEMBL7623416 0.84 PTPN1 (0.87) PTPN1HSD17B10NR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL10337056 0.84 PTPN1 (0.62) PTPN1HSD17B10NR4A1NR4A2NR4A3
SCHEMBL1878835 0.84 PTPN1 (0.62) PTPN1HSD17B10NR4A1NR4A2NR4A3
Water SCHEMBL3833109 0.84 PTPN1 (0.62) PTPN1HSD17B10NR4A1NR4A2NR4A3

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-1992010601-A1 PROCESS FOR STRETCHING FIBERS AND FORMING COMPOSITE ARTICLES ALLIED-SIGNAL INC. (US) 1992-06-25 WO disclosed