SCHEMBL7022121

SCHEMBL7022121

O=c1ccc2cc(Cl)cc(Cl)c2o1.O=c1ccc2cc(Cl)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ACHE P22303 2/20 0.48
PGR P06401 3/20 0.48
CA12 O43570 7/20 0.47
CA9 Q16790 7/20 0.47
ALDH1A1 P00352 3/20 0.47
MCL1 Q07820 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL6683335 0.88 GAA (0.52) MAOBACHECA12CA9ALDH1A1
SCHEMBL3086551 0.87 CA12 (0.60) MAOBACHEPGRCA12CA9
SCHEMBL28620191 0.85 CA12 (0.58) MAOBACHEPGRCA12CA9
SCHEMBL28918556 0.82 HSD17B10 (0.51) ACHECA12CA9ALDH1A1MCL1
SCHEMBL28918554 0.82 GAA (0.50) ACHECA12CA9ALDH1A1MCL1
SCHEMBL28918561 0.80 ACHE (0.56) MAOBACHEPGRCA12CA9
SCHEMBL28918564 0.80 CA12 (0.58) MAOBACHECA12CA9ALDH1A1
SCHEMBL17294126 0.75 PGR (0.55) MAOBACHEPGRCA12CA9
SCHEMBL11036186 0.74 CA12 (0.59) ACHEPGRCA12CA9ALDH1A1
SCHEMBL10603429 0.73 GAA (0.46) MAOBACHEPGRCA12CA9

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