SCHEMBL3923901

SCHEMBL3923901

CCCCCc1cc(C)c(C)o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
ELANE P08246 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
THRB P10828 1/20 0.37
PTGS2 P35354 4/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP19A1 P11511 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ALOX5 P09917 2/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL20122065 0.98 MAPT (0.45) MAPTSMN1; SMN2ALOX15ELANESIRT2
SCHEMBL3925033 0.94 TLR8 (0.40) MAPTSMN1; SMN2ALOX15ELANESIRT2
SCHEMBL3922006 0.85 TLR8 (0.37) MAPTSMN1; SMN2ALOX15ALDH1A1TSHR
SCHEMBL183395 0.75
SCHEMBL17895868 0.75 CYP4F2 (0.48) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL11715954 0.74 TTR (0.58) MAPTALOX15ELANEALDH1A1
SCHEMBL11719258 0.73 TTR (0.57) ALOX15ELANEALDH1A1
SCHEMBL11717767 0.73 TTR (0.57) ALOX15ELANEALDH1A1
SCHEMBL19925250 0.71 PPARA (0.55) ALOX15ELANEALDH1A1TSHR
SCHEMBL11717491 0.71 KDM4E (0.48) MAPTELANECYP3A4TP53GAA

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
CN-107548396-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 CN 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
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO disclosed