SCHEMBL3840720

SCHEMBL3840720

CC1C(=O)C(C(=O)O)=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BRD4 O60885 1/20 0.39
CCL2 P13500 1/20 0.39
LMNA P02545 3/20 0.36
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 3/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL15744464 0.82 MEN1 (0.40) LMNAALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL3312303 0.77 BRD4 (0.39) MAOAMAOBBRD4CCL2LMNA
SCHEMBL4235647 0.74 BRD4 (0.43) MAOAMAOBBRD4CCL2LMNA
SCHEMBL7006425 0.68 BRD4 (0.38) BRD4CCL2LMNADRD2DRD4
Maleic Acid SCHEMBL28893513 0.68 ALDH1A1 (0.42) BRD4CCL2LMNAALDH1A1SMN1; SMN2
Pivalate SCHEMBL7596893 0.67 ALDH1A1 (0.34) BRD4CCL2LMNADRD2DRD4
SCHEMBL9205811 0.66 BRD4 (0.50) BRD4CCL2LMNADRD2DRD4
SCHEMBL13519456 0.66 LMNA (0.38) MAOAMAOBBRD4LMNAALDH1A1
SCHEMBL503745 0.65 MAOA (0.50) MAOAMAOBLMNAALDH1A1TDP1
SCHEMBL30895284 0.65 MAOA (0.50) MAOAMAOBLMNAALDH1A1TDP1

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-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed