SCHEMBL8712602

SCHEMBL8712602

Cc1oc(C(=O)Nc2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(C#N)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CETP P11597 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
CNR1 P21554 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SERPINE1 P05121 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL8712595 0.86 MAPT (0.47) HSD17B10CETPKMT2ATP53MAPT
SCHEMBL8715687 0.84 CETP (0.41) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8904702 0.83 PLAU (0.41) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8903337 0.79 RXFP1 (0.37) ALOX15HSD17B10KMT2AGAATP53
SCHEMBL8715681 0.78 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8903418 0.76 DRD2 (0.38) CETPABCB1
SCHEMBL8712451 0.74 DHPS (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8715803 0.74 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8718107 0.74 CLK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147475 0.74 MAPT (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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