SCHEMBL7658585

SCHEMBL7658585

CCCOc1cccc([C@@H]2CC(=O)Oc3cc(OC)ccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
MAPT P10636 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SIRT2 Q8IXJ6 1/20 0.49
HPGD P15428 3/20 0.49
ALDH2 P05091 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7662912 0.86 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ASIRT2
SCHEMBL14774738 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14774831 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14774699 0.82 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14774821 0.82 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9438991 0.81 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ASIRT2
SCHEMBL7662968 0.81 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14774760 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14774773 0.80 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28936955 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441173-B1 NOVEL INTERMEDIATES OF AND CONVERSION TO 3-(2-(2-HYDROXYETH-1-YLOXY) OR (2-CARBOXYMETHOXY)-4-METHOXYPHENYL)-1-(3,4-METHYLENE DIOXYPHENYL)-5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION 2002-08-27 US disclosed
EP-0876352-A4 PROCESS SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP disclosed
US-6114549-A Process of making 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-09-05 US disclosed
EP-0876352-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-11 EP disclosed
WO-1997017330-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed