SCHEMBL7438758

SCHEMBL7438758

CC(C)(C)OC(=O)NCc1cccc(C(=O)c2cccc(NCC(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
NAMPT P43490 2/20 0.43
HDAC1 Q13547 1/20 0.43
GLS O94925 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR1 O14842 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCKBR P32239 1/20 0.40
AKR1C3 P42330 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CREBBP Q92793 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL184425 0.81 NR1H4 (0.61) BRD4NAMPTHDAC1GLSNR1H4
SCHEMBL3509267 0.80 BRD4 (0.52) BRD4NAMPTHDAC1GLSHIF1A
SCHEMBL13135999 0.78 GLS (0.50) BRD4NAMPTHDAC1GLSNR1H4
SCHEMBL11090977 0.78 NAMPT (0.53) BRD4NAMPTHDAC1NPSR1HDAC6
SCHEMBL21455594 0.77 NR1H4 (0.48) BRD4NAMPTHDAC1GLSNR1H4
SCHEMBL26508960 0.77 BRD4 (0.52) BRD4NAMPTHDAC1GLSCCKBR
SCHEMBL31044413 0.77 GLS (0.49) BRD4NAMPTHDAC1GLSNR1H4
SCHEMBL879574 0.77 LOXL2 (0.56) BRD4NAMPTGLSNR1H4HIF1A
SCHEMBL24140014 0.76 ALDH1A1 (0.49) BRD4NAMPTHDAC1GLSNR1H4
SCHEMBL20474743 0.76 HDAC6 (0.56) NAMPTHDAC1GLSNR1H4HDAC8

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
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed