SCHEMBL7090958

SCHEMBL7090958

CC(C)CCC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.50
NAMPT P43490 1/20 0.50
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
PTPN1 P18031 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
F10 P00742 6/20 0.43

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
SCHEMBL7092320 0.83 RAB9A (0.54) NAMPTF10PRSS1GAAF2
SCHEMBL7091162 0.82 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7090461 0.81 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7090663 0.80 PRMT1 (0.58) F10GAAALDH1A1
SCHEMBL6182322 0.78 SMN1; SMN2 (0.55) GAAALDH1A1
SCHEMBL6381077 0.77 F10 (0.49) NAMPTF10ALDH1A1
SCHEMBL7090262 0.76 NAMPT (0.63) NAMPTF10PRSS1F2PRSS2
SCHEMBL1259422 0.76 HDAC3 (0.63) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL23676418 0.75 CASP1 (0.48) MMP2MMP9MMP8MMP12MMP14
SCHEMBL9310888 0.75 MEN1 (0.69) PTPRCALDH1A1

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-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP claimed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO claimed