SCHEMBL27558772

SCHEMBL27558772

Cn1ccc(C(C)(C)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NR3C2 P08235 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL440932 0.74 KMT2A (0.41) KMT2AALDH1A1NPC1RAB9AEPHX2
SCHEMBL2765520 0.74 ALDH1A1 (0.34) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL2764087 0.73 ALDH1A1 (0.33) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL2764085 0.73 ALDH1A1 (0.33) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL23967586 0.71 KMT2A (0.39) KMT2AALDH1A1KDM4EKEAP1
Butadiene SCHEMBL6470477 0.71 ALDH1A1 (0.32) ALDH1A1ESR1CYP3A4ESR2MAPK13
SCHEMBL6526306 0.69 MAPK14 (0.40) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL18654128 0.69 ESR1 (0.46) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL174430 0.69 PRMT6 (0.41) KMT2ANPC1RAB9AKEAP1
SCHEMBL1085996 0.69 KMT2A (0.40) KMT2AALDH1A1CYP3A4NPC1RAB9A

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
CN-1302026-C Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
CN-1390864-A Additional polymerization catalyst and its production process SUMITOMO CHEMICAL CO (JP) 2003-01-15 CN disclosed