SCHEMBL22661007

SCHEMBL22661007

C1=CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 1/20 0.43
DRD4 P21917 1/20 0.41
HDAC4 P56524 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL5968558 0.77 ALDH1A1 (0.54) MEN1KMT2ASLC6A4SLC6A3OPRK1
SCHEMBL5968850 0.77 ESR2 (0.56) MEN1KMT2ASLC6A4SLC6A3
SCHEMBL472076 0.76 HDAC4 (0.36) OPRM1MEN1CYP2C9KMT2AHDAC4
SCHEMBL971142 0.76 SLC6A4 (0.36) OPRM1MEN1CYP2C9KMT2AHDAC4
SCHEMBL29976718 0.76 OPRM1 (0.39) OPRM1HTR2AHDAC4SLC6A4SLC6A3
SCHEMBL451738 0.75 OPRM1 (0.56) OPRM1MEN1CYP2C9KMT2AHTR2A
SCHEMBL2256573 0.73 OPRM1 (0.67) OPRM1MEN1CYP2C9KMT2AHTR2A
SCHEMBL2256575 0.73 OPRM1 (0.67) OPRM1MEN1CYP2C9KMT2AHTR2A
SCHEMBL27515044 0.73 OPRM1 (0.43) OPRM1MEN1CYP2C9KMT2AHTR2A
SCHEMBL3763649 0.71 OPRM1 (0.42) OPRM1MEN1CYP2C9KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230786-A1 CURABLE COMPOSITION AND CURED PRODUCT OF SAME 学校法人関西大学 2020-11-19 WO disclosed