SCHEMBL8903290

SCHEMBL8903290

COc1ccc(CCC(=O)N[C@@H](Cc2ccc(NC(=O)c3cc4cc(C(=N)NC(=O)OCc5ccccc5)ccc4o3)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FPR2 P25090 1/20 0.45
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 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
SCHEMBL8903453 0.87 NPC1 (0.48) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8903947 0.81 F2 (0.49) MAPTTP53NPC1TSHRRAB9A
SCHEMBL8905173 0.80 MMP2 (0.42) MAPTTP53NPC1TSHRRAB9A
SCHEMBL9052307 0.80 ITGB3 (0.52) MAPTTP53NPC1TSHRRAB9A
SCHEMBL8713127 0.76 MAPT (0.47) MAPTTP53NPC1TSHRRAB9A
SCHEMBL8904345 0.73 NPC1 (0.43) MAPTTP53NPC1TSHRRAB9A
SCHEMBL9800498 0.73 FPR2 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8906154 0.73 ITGB3 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8712906 0.73 TP53 (0.46) MAPTTP53TSHRSMN1; SMN2ITGB3
SCHEMBL8719741 0.72 SMN1; SMN2 (0.47) MAPTTP53NPC1TSHRRAB9A

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