SCHEMBL8089002

SCHEMBL8089002

COc1cc[c]c(-c2ccc(C(C)C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS2 P35354 3/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PTGS1 P23219 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CYP2D6 P10635 2/20 0.33

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
SCHEMBL459934 0.84 CA12 (0.44) RAB9ASMN1; SMN2MAPTTP53CYP1A2
SCHEMBL6841236 0.83 MEN1 (0.38) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5622659 0.81 ACHE (0.45) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6494848 0.80 LMNA (0.36) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8529054 0.80 AHR (0.42)
SCHEMBL11205461 0.79 APP (0.39) RAB9ASMN1; SMN2TP53NPC1
SCHEMBL8095649 0.79 MAPT (0.34) RAB9ASMN1; SMN2MAPTTP53GAA
SCHEMBL4468568 0.79 MEN1 (0.40) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10918406 0.79 CYP11B1 (0.44) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3262111 0.79 ESR2 (0.52) RAB9AMEN1KMT2ASMN1; SMN2MAPT

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
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed