SCHEMBL8327613

SCHEMBL8327613

CCC(O)(CC)CSc1cc(OC)ccc1C(O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
TYR P14679 1/20 0.36
ACHE P22303 1/20 0.36
ACP3 P15309 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AOC3 Q16853 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8329837 0.91 MEN1 (0.37) BCHETYRACHEACP3MEN1
SCHEMBL8334159 0.74 ALDH1A1 (0.53) MEN1KMT2ALMNAL3MBTL1GAA
SCHEMBL6550407 0.70 MEN1 (0.48) BCHETYRACHEMEN1KMT2A
SCHEMBL3823999 0.70 TYR (0.52) BCHETYRACHEACP3LMNA
SCHEMBL11857411 0.70 ACP3 (0.42) BCHETYRACHEACP3MEN1
SCHEMBL18818974 0.69 NOS2 (0.46) BCHETYRACHEACP3MEN1
SCHEMBL5779727 0.69 EPHX2 (0.45) ACP3MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8806213 0.68 ADRA2A (0.57) MEN1KMT2ALMNACYP2D6
SCHEMBL29048103 0.68 BCHE (0.46) BCHETYRACHEACP3MEN1
SCHEMBL30943709 0.68 ADRA2A (0.57) MEN1KMT2ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998038182-A9 HYPOLIPIDEMIC BICYCLIC DERIVATIVES GLAXO GROUP LTD (GB) 1999-04-15 WO disclosed
WO-1998038182-A1 HYPOLIPIDEMIC BICYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed