SCHEMBL7400711

SCHEMBL7400711

CCCCc1nc(C)c(/C(=C(\Cc2ccc3c(c2)OCO3)C(=O)O)c2ccc(OC)cc2OCC(=O)O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EDNRA P25101 6/20 0.39
EDNRB P24530 3/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7398634 0.87 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7398629 0.87 HPGD (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7403033 0.81 NPC1 (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7393005 0.81 NPC1 (0.43) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7396276 0.79 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7403131 0.79 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7396280 0.79 HPGD (0.52) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7401631 0.79 HPGD (0.50) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7399015 0.76 HPGD (0.39) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7399026 0.76 HPGD (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO disclosed