SCHEMBL7668303

SCHEMBL7668303

CCCOc1cccc(/C=C/C(=O)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 1/20 0.52
TLR4 O00206 2/20 0.52
TLR2 O60603 2/20 0.52
PKM P14618 1/20 0.50
APP P05067 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
NAMPT P43490 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FOS P01100 1/20 0.45
JUN P05412 1/20 0.45
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 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
SCHEMBL28397202 0.87 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL28397201 0.87 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL19244306 0.84 APP (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL19244235 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL10021693 0.83 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL7222274 0.83 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL7222278 0.83 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4
SCHEMBL7054652 0.82 ABCG2 (0.63) KDM4EALDH1A1SMN1; SMN2KMT2AABCG2
SCHEMBL7054651 0.82 ABCG2 (0.63) KDM4EALDH1A1SMN1; SMN2KMT2AABCG2
SCHEMBL19244368 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2ATLR4

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