SCHEMBL7029495

SCHEMBL7029495

Cc1cc2oc(C(=O)O)cc(=O)c2cc1Cl.Cc1ccc2c(c1)CCC(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.43
POLB P06746 4/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
THRB P10828 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PTGS1 P23219 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38

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
SCHEMBL31081384 0.80 ALDH1A1 (0.59) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL5085548 0.80 ALDH1A1 (0.59) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL379054 0.72 ALDH1A1 (0.67) ALDH1A1POLBTHRBKMT2AMEN1
SCHEMBL3504905 0.72 ALDH2 (0.47) ALDH1A1ALDH2ALDH3A1KDM4E
SCHEMBL5084426 0.70 AKR1B1 (0.69) ALDH1A1GAAPOLBTHRBKMT2A
SCHEMBL6190746 0.69 ALDH1A1 (0.66) ALDH1A1POLBAKR1B1KDM4EUSP2
SCHEMBL5559080 0.69 POLB (0.59) ALDH1A1POLBTHRBKMT2AMEN1
SCHEMBL7030775 0.67 ALDH2 (0.53) ALDH1A1ALDH2ALDH3A1THRBKMT2A
SCHEMBL22617287 0.65 MAOB (0.68) GAAPOLBTHRBKMT2AMEN1
SCHEMBL6331018 0.65 ALDH1A1 (0.59) ALDH1A1AKR1B1KDM4EUSP2CSNK2A2

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