SCHEMBL5818404

SCHEMBL5818404

CCCCCCCCCCCC[n+]1ccccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
HTT P42858 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 5/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 3/20 0.53
RAD52 P43351 3/20 0.53
HSP90AA1 P07900 2/20 0.53
RGS12 O14924 1/20 0.53
USP2 O75604 1/20 0.53
THRB P10828 1/20 0.53
MCL1 Q07820 1/20 0.53
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 4/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5301172 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5810925 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5303543 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5305269 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5286033 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5810465 0.98 SMN1; SMN2 (0.50) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5306247 0.93 NPC1 (0.44) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5301081 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5293033 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5285276 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A

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-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed