SCHEMBL8092940

SCHEMBL8092940

CCC(C)(C)c1ccc(-c2[c]cccc2OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PTPN1 P18031 1/20 0.32
KCNA5 P22460 3/20 0.32
MAOB P27338 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL5782733 0.84 MAPT (0.40) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL8089555 0.78 NPC1 (0.38) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL8089505 0.76 CA12 (0.38) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL6188780 0.76 CA12 (0.41) NPC1RAB9AMAPTCYP2C9LMNA
SCHEMBL7454339 0.76 CA12 (0.38) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL8081799 0.76 GABRA1 (0.39) LMNAMAOBCA12CA1CA2
SCHEMBL1274782 0.76 CA1 (0.46) NPC1RAB9APOLBLMNAMAPK1
SCHEMBL28621595 0.74 ALDH1A1 (0.38) NPC1RAB9AMAPTCYP2C9LMNA
SCHEMBL2885322 0.73 CA1 (0.50) MAPTLMNAMAPK1SMN1; SMN2CA12
SCHEMBL10562502 0.72 CYP1A2 (0.43) CA12CA1CA2CA4CA7

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