SCHEMBL9543849

SCHEMBL9543849

COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3CC2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
SLC6A12 P48065 1/20 0.43
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL11353385 0.71 HSD11B1 (0.46) HSD11B1MAPK1
SCHEMBL9527735 0.69 LMNA (0.42) KMT2AMAPTMAPK1MEN1
SCHEMBL27359306 0.69 HDAC9 (0.55) KIF11KMT2ANPC1MAPTMAPK1
SCHEMBL11079554 0.68 HSD11B1 (0.47) HSD11B1KMT2ANPC1MAPTMAPK1
SCHEMBL11799039 0.68 AKR1C1 (0.40) KIF11HSD11B1MAPT
SCHEMBL378469 0.68 HSD11B1 (0.47) HSD11B1KMT2ANPC1MAPTMAPK1
SCHEMBL9543856 0.68 EDNRA (0.46) KIF11SLC6A12HSD11B1KMT2ANPC1
SCHEMBL6071126 0.66 GAA (0.40) KMT2AMAPT
SCHEMBL8347525 0.66 ATM (0.48) SLC6A12HSD11B1KMT2ANPC1MAPT
SCHEMBL25986510 0.65 DRD1 (0.45) KIF11OPRM1OPRL1ATM

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-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed