SCHEMBL3689667

SCHEMBL3689667

CC(C)c1cc(C(C)C)cc(C(c2ccc(S)cc2)c2cc(C(C)C)cc(C(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
TYR P14679 3/20 0.32
RNASEH1 O60930 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL21895716 0.80 ACHE (0.38) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL590373 0.80 TYR (0.46) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL901124 0.80 IDO1 (0.42)
SCHEMBL3694310 0.79 ALDH1A1 (0.43) LMNATRPA1PTGS1CACNA1CHTT
Water SCHEMBL28356234 0.78 TYR (0.44) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL3689250 0.77 GAA (0.39) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL3699760 0.77 ACHE (0.31) ALDH1A1
SCHEMBL3698644 0.77 CYP19A1 (0.50) LMNAHIF1ATYR
SCHEMBL3701532 0.77 ESR1 (0.52) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL3688225 0.77 POLB (0.37) LMNATRPA1PTGS1CACNA1CHTT

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 3 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 claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed