SCHEMBL7180832

SCHEMBL7180832

COCC(=O)Oc1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 8/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
FABP3 P05413 2/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2058257 0.83 KDM4E (0.53) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL1834873 0.81 KDM4E (0.61) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL2390126 0.80 KDM4E (0.53) L3MBTL1TDP1KDM4ELMNAMAPK1
Methylamine SCHEMBL27841050 0.80 L3MBTL1 (0.47) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL7181838 0.80 LMNA (0.49) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL34470443 0.80 KDM4E (0.53) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL11223694 0.79 L3MBTL1 (0.50) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL13766122 0.79 TDP1 (0.50) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL4389216 0.79 TDP1 (0.50) L3MBTL1TDP1KDM4ELMNAMAPK1
SCHEMBL8165268 0.79 MAPK1 (0.50) L3MBTL1TDP1KDM4ELMNAMAPK1

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-1305324-A1 USE OF CHIRAL DIPHOSPHINES AS OPTICALLY ACTIVE LIGANDS PPG-Sipsy (FR) 2003-05-02 EP disclosed
WO-2002012253-A1 USE OF CHIRAL DIPHOSPHINES AS OPTICALLY ACTIVE LIGANDS PPG-SIPSY (FR) 2002-02-14 WO disclosed