SCHEMBL8905331

SCHEMBL8905331

Nc1ccc(OCC(=O)O)c(OCC(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.66
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
Hydrochloric Acid SCHEMBL8484286 0.98 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL13244214 0.90 POLB (0.62) PTGDR2TDP1POLBSMN1; SMN2ALDH1A1
SCHEMBL1531321 0.90 POLB (0.62) PTGDR2POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL29835046 0.87 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL214008 0.87 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL10595469 0.87 PTGDR2 (0.59) PTGDR2TDP1POLBSMN1; SMN2GLA
Hydrochloric Acid SCHEMBL28833707 0.85 PTGDR2 (0.62) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL1028925 0.84 PTGDR2 (0.60) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL479071 0.84 ALDH1A1 (0.62) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL10816768 0.84 PTGDR2 (0.60) PTGDR2TDP1POLBSMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed