SCHEMBL8712595

SCHEMBL8712595

Cc1c(C(=O)Nc2ccc(OCC(=O)OC(C)(C)C)cc2)oc2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 3/20 0.42
PKM P14618 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL8712602 0.86 HDAC8 (0.40) MAPTKMT2ARXFP1HPGDHSD17B10
SCHEMBL8713230 0.84 MAPT (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8715681 0.81 MAPT (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8715687 0.81 CETP (0.41) MAPTKMT2ARXFP1HPGDCETP
SCHEMBL8903334 0.80 L3MBTL1 (0.45) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8716441 0.77 NPC1 (0.46) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8905478 0.77 NPC1 (0.46) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8712451 0.76 DHPS (0.45) MAPTKMT2ARXFP1CETP
SCHEMBL8718107 0.76 CLK1 (0.47) MAPTKMT2ARXFP1CETP
SCHEMBL8715803 0.74 NPC1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
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