SCHEMBL8905644

SCHEMBL8905644

N#Cc1ccc2oc(C(=O)Nc3ccc(OCC(=O)O)c(OCC(=O)O)c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.45
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
CETP P11597 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL8904649 0.82 ITGB3 (0.53) RAB9AMEN1KMT2AF2PLG
SCHEMBL8718263 0.76 MAPT (0.50) RAB9AMEN1KMT2ACETPTP53
SCHEMBL13742822 0.76 PTGDR2 (0.46) RAB9APTGDR2F2PLGPLAU
SCHEMBL8715681 0.75 MAPT (0.46) RAB9AMEN1KMT2ACETPTP53
SCHEMBL8713054 0.74 RAB9A (0.47) RAB9AMEN1KMT2APTGDR2CETP
SCHEMBL8719726 0.74 RAB9A (0.41) RAB9AMEN1KMT2AF2PLG
SCHEMBL8713417 0.74 KMT2A (0.48) RAB9AMEN1KMT2APTGDR2F2
SCHEMBL8717795 0.71 F2 (0.57) RAB9AMEN1KMT2AF2PLG
SCHEMBL1819421 0.70 PIM1 (0.58) PLAUTP53SMN1; SMN2MAPTHPGD
SCHEMBL14096135 0.70 MAPT (0.52) RAB9AMEN1KMT2ASMN1; SMN2MAPT

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