SCHEMBL6904879

SCHEMBL6904879

COc1cc(C(C)(C)C)cc2c1CCc1c(cc(C(C)(C)C)cc1OC)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
ELANE P08246 1/20 0.39
CD69 Q07108 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
DHODH Q02127 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
TLR4 O00206 3/20 0.34
CD14 P08571 3/20 0.34
LY96 Q9Y6Y9 3/20 0.34
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.31
GAA P10253 2/20 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
SCHEMBL6901135 0.76 POLB (0.41) MAPTCYP3A4ELANECD69LMNA
SCHEMBL29822717 0.75 LMNA (0.37) MAPTCYP3A4SMN1; SMN2DHODHHPGD
SCHEMBL6900212 0.73 HIF1A (0.39) CYP3A4ELANECD69HPGDALDH1A1
SCHEMBL7526556 0.71 ALDH1A1 (0.39) MAPTCYP3A4ELANECD69SMN1; SMN2
SCHEMBL13021639 0.69 POLB (0.41) MAPTCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL1754083 0.69 ACHE (0.54) MAPTCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL10212113 0.69 TP53 (0.39) MAPTCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL20094339 0.68 TDP2 (0.37) MAPTCYP3A4ELANECD69SMN1; SMN2
SCHEMBL6976097 0.68 MAPT (0.36) MAPTCYP3A4ELANECD69SMN1; SMN2
SCHEMBL6907158 0.68 POLB (0.34) MAPTELANECD69HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed