SCHEMBL7033540

SCHEMBL7033540

COc1ccc2oc(=O)c(C=O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
CA3 P07451 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
GPR55 Q9Y2T6 1/20 0.57
MAOB P27338 8/20 0.56
CYP2A6 P11509 1/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL6967029 0.88 ALDH1A1 (0.58) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL1998827 0.84 MAOB (0.50) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL5298419 0.81 KDM4E (0.63) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL5298416 0.81 KDM4E (0.63) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL28540129 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL5858393 0.79 MAOB (0.57) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL12839872 0.79 MAOB (0.64) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL29985195 0.79 APP (0.60) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL120294 0.79 APP (0.60) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL5294404 0.78 ADAM17 (0.56) KDM4EALDH1A1HPGDCA12CA1

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