SCHEMBL3667423

SCHEMBL3667423

NC(=O)c1c(CC2CCC3(CCCC3)CC2)ccnc1Oc1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PREP P48147 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
OGG1 O15527 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 2/20 0.33

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
SCHEMBL3667416 0.85 SIRT2 (0.36) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL3667426 0.80 SIRT2 (0.37) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL3661678 0.76 SIRT2 (0.47) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL3661674 0.67 SIRT2 (0.47) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL3667419 0.64 GPBAR1 (0.48) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL6981257 0.61 FAAH (0.46) ALDH1A1KDM4E
Carbamic Acid SCHEMBL12079192 0.60 ALDH1A1 (0.58) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL2784042 0.60 NR4A1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL1884690 0.60 TRPA1 (0.48) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL7512439 0.59 PARP10 (0.48) MEN1KMT2ARAB9AALDH1A1CARM1

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-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed