SCHEMBL8894978

SCHEMBL8894978

O=C(O)CCCc1ccc(C(=O)CCCCCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
RXFP1 Q9HBX9 1/20 0.74
TDP1 Q9NUW8 2/20 0.72
NPC1 O15118 1/20 0.72
CASP3 P42574 1/20 0.72
RAB9A P51151 1/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
DPP4 P27487 1/20 0.71
HDAC1 Q13547 4/20 0.69
HDAC3 O15379 2/20 0.69
HDAC4 P56524 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
HDAC9 Q9UKV0 2/20 0.69

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
SCHEMBL8896277 0.95 TDP1 (0.79) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL27463271 0.90 DPP4 (0.81) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL7829240 0.90 DPP4 (0.65) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL7822245 0.88 HSD17B10 (0.68) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL7426101 0.88 TDP1 (0.85) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL9242650 0.88 TDP1 (0.85) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL8559822 0.88 TDP1 (0.85) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL3070677 0.86 TDP1 (0.89) MAPTRXFP1TDP1NPC1CASP3
SCHEMBL770290 0.86 MAPT (1.00) MAPTRXFP1HDAC1HDAC3HDAC4
SCHEMBL503837 0.86 MAPT (1.00) MAPTRXFP1HDAC1HDAC3HDAC4

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed