SCHEMBL7671012

SCHEMBL7671012

COC(=O)CC(=O)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EGLN2 Q96KS0 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
PARP1 P09874 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
P4HB P07237 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CTNNB1 P35222 1/20 0.44

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
SCHEMBL11632592 0.86 CTNNB1 (0.52) KDM4EALDH1A1MEN1KMT2AEGLN2
SCHEMBL29902970 0.85 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AEGLN2
SCHEMBL11772465 0.85 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AEGLN2
SCHEMBL11269818 0.83 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AEGLN2
SCHEMBL1505243 0.82 LOXL2 (0.56) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL1398937 0.82 CTNNB1 (0.56) KDM4EMEN1KMT2APARP1NPC1
SCHEMBL25911130 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AEGLN2
SCHEMBL16871506 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL2057210 0.81 ERCC5 (0.63) KDM4EALDH1A1MEN1KMT2APARP1
SCHEMBL2130116 0.81 CES2 (0.62) ALDH1A1MEN1KMT2APARP1NPC1

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