SCHEMBL3922006

SCHEMBL3922006

CCCc1cc(C)c(C)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 6/20 0.33
ALDH1A2 O94788 2/20 0.33
ALDH2 P05091 2/20 0.33
ALDH1B1 P30837 2/20 0.33
ALDH1A3 P47895 2/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
APEX1 P27695 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
SCHEMBL3923901 0.85 MAPT (0.42) TLR8ALDH1A1MAPTSMN1; SMN2ALOX15
SCHEMBL20122065 0.83 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2ALOX15TSHR
SCHEMBL183395 0.80
SCHEMBL20419311 0.78
SCHEMBL9768897 0.74 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13680860 0.74 MAPT (0.32) MAPTSMN1; SMN2APEX1
SCHEMBL4301123 0.73
SCHEMBL15151077 0.73
SCHEMBL14034872 0.73
SCHEMBL3906982 0.73

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-7582712-B1 Alpha-olefins polymerization catalyst FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2009-09-01 US claimed
US-7582712-B1 Alpha-olefins polymerization catalyst FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2009-09-01 US disclosed
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP disclosed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO disclosed