SCHEMBL27501166

SCHEMBL27501166

COc1ccc(CC2c3ccccc3C(c3ccc(O)cc3)C2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.66
EDNRB P24530 7/20 0.66
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CALM1 P0DP23 1/20 0.40
LTA4H P09960 1/20 0.39
P4HB P07237 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP26A1 O43174 1/20 0.38
CYP24A1 Q07973 1/20 0.38
FFAR1 O14842 1/20 0.38
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27454128 0.93 EDNRA (0.71) EDNRAEDNRBFABP7FABP5LTA4H
SCHEMBL27453264 0.90 EDNRA (0.64) EDNRAEDNRBFABP7FABP5LTA4H
SCHEMBL7538261 0.86 EDNRA (0.88) EDNRAEDNRBFABP7FABP5LTA4H
SCHEMBL27508611 0.81 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7589806 0.81 EDNRA (1.00) EDNRAEDNRBFABP7FABP5NPC1
SCHEMBL7586063 0.81 EDNRA (1.00) EDNRAEDNRBFABP7FABP5NPC1
SCHEMBL8676241 0.81 EDNRA (1.00) EDNRAEDNRBFABP7FABP5NPC1
SCHEMBL7586070 0.81 EDNRA (1.00) EDNRAEDNRBFABP7FABP5NPC1
SCHEMBL7586067 0.81 EDNRA (1.00) EDNRAEDNRBFABP7FABP5NPC1
SCHEMBL27544939 0.80 EDNRA (0.59) EDNRAEDNRBFABP7FABP5USP2

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
CN-1145223-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1997-03-19 CN disclosed