SCHEMBL7022124

SCHEMBL7022124

O=c1ccoc2c(Cl)cc(Cl)cc12.O=c1ccoc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FTO Q9C0B1 2/20 0.43
ACHE P22303 1/20 0.43
DYRK1A Q13627 1/20 0.42
ADCY1 Q08828 1/20 0.42
AHR P35869 2/20 0.41
PTPN1 P18031 2/20 0.41
TNKS O95271 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 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
SCHEMBL11538212 0.88 PTPN1 (0.49) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL365385 0.87 MAOA (0.58) MAOAMAOBALDH1A1KDM4EHPGD
Ethane SCHEMBL27840767 0.83 MAOA (0.55) MAOAMAOBALDH1A1KDM4EHPGD
Benzene SCHEMBL27821367 0.83 ACHE (0.58) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL28230155 0.72 FTO (0.63) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL29597364 0.71 SIRT2 (0.46) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL21858235 0.71 ALDH1A1 (0.38) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL9432877 0.70 FTO (0.55) MAOAMAOBKDM4EFTOACHE
SCHEMBL1256888 0.68 AHR (0.41) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL24046753 0.68 ALOX15 (0.45) MAOAMAOBALDH1A1HPGDGABRP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322308-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION Durect Corporation (US) 2003-07-02 EP disclosed
WO-2002028366-A9 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORP (US) 2003-02-13 WO disclosed
WO-2002028366-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORPORATION (US) 2002-04-11 WO disclosed