SCHEMBL3696192

SCHEMBL3696192

CC(C)c1ccc(C(c2cc(C(C)C)c(N)c(C(C)C)c2)c2cc(C(C)C)c(N)c(C(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ADRB2 P07550 1/20 0.35
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
IDO1 P14902 2/20 0.35
TYR P14679 2/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL3693258 0.86 ESR1 (0.43) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL3696531 0.86 GABRA1 (0.35) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL3689051 0.86 ADRA2A (0.41) ALDH1A1HIF1AKDM4ELMNA
SCHEMBL28523547 0.86 ADRA2A (0.41) ALDH1A1HIF1AKDM4ELMNA
SCHEMBL30577327 0.82 ADRA2A (0.38) ALDH1A1HIF1AKDM4ELMNA
SCHEMBL30782957 0.82 ADRA2A (0.38) ALDH1A1HIF1AKDM4ELMNA
SCHEMBL28604268 0.82 GABRA1 (0.35) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL28955066 0.82 PDE2A (0.39)
SCHEMBL3440745 0.82 GABRA1 (0.50) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL3690500 0.79 MAPT (0.51) ALDH1A1HTTGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP disclosed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO disclosed