SCHEMBL7401629

SCHEMBL7401629

COC(=O)/C(Cc1ccc2c(c1)OCO2)=C(/c1ccccc1)c1ccc(OC)cc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EDNRB P24530 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
EDNRA P25101 1/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7396280 0.93 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7403131 0.93 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7396276 0.93 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7401631 0.83 HPGD (0.50) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7397215 0.83 ALDH1A1 (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7401360 0.81 ALDH1A1 (0.60) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7398634 0.74 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7398629 0.74 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7404248 0.74 EDNRB (0.61) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7393005 0.73 NPC1 (0.43) 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 5 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
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