SCHEMBL7403131

SCHEMBL7403131

COc1ccc(/C(=C(/Cc2ccc3c(c2)OCO3)C(=O)O)c2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EDNRB P24530 2/20 0.50
KMT2A Q03164 2/20 0.47
EDNRA P25101 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7396280 1.00 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7396276 1.00 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7401629 0.93 HPGD (0.51) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7401631 0.90 HPGD (0.50) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7404248 0.81 EDNRB (0.61) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7398634 0.80 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7398629 0.80 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7403033 0.80 NPC1 (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7393005 0.80 NPC1 (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7400711 0.79 HPGD (0.42) HPGDNPC1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650484-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-01-26 EP claimed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO claimed
EP-0650484-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-01-26 EP disclosed
US-5559105-A ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-24 US disclosed
EP-0650484-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-03 EP disclosed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO disclosed