SCHEMBL7743895

SCHEMBL7743895

CCCOc1ccc2c(c1)C(=O)CC2c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.53
EDNRB P24530 5/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7660780 1.00 EDNRA (0.53) EDNRAEDNRBMAPTMEN1ALDH1A1
SCHEMBL8011535 0.77 EDNRA (0.56) EDNRAEDNRBMAPT
SCHEMBL8011534 0.77 EDNRA (0.56) EDNRAEDNRBMAPT
SCHEMBL6955353 0.76 EDNRA (0.64) EDNRAEDNRB
SCHEMBL984528 0.75 MAOB (0.68) EDNRAEDNRBMAPTMEN1KMT2A
SCHEMBL7658046 0.75 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7658049 0.75 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4826683 0.75 LMNA (0.54) MAPTMEN1ALDH1A1KMT2A
SCHEMBL11806553 0.73 FFAR1 (0.42) MAPTMEN1ALDH1A1KMT2A
SCHEMBL7813803 0.72 EDNRA (0.58) EDNRAEDNRBMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019397-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2001-01-17 EP disclosed
EP-1019397-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP disclosed
US-5929106-A VASODILATOR; HYPOTENSIVE AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
EP-0768878-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-02-17 EP disclosed
US-5736564-A DIHYDROISOINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1998-04-07 US disclosed
WO-1997017341-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed
EP-0768878-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-23 EP disclosed
WO-1995035107-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-28 WO disclosed