SCHEMBL28950285

SCHEMBL28950285

COc1cc2c(cc1O)CCc1cc(OC)c(OC)c(OC)c1-2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.66
CCNB2 O95067 1/20 0.63
CDK1 P06493 1/20 0.63
CCNB1 P14635 1/20 0.63
CCNB3 Q8WWL7 1/20 0.63
CHRNB2 P17787 3/20 0.53
CHRNA7 P36544 3/20 0.53
CHRNA4 P43681 3/20 0.53
DRD1 P21728 2/20 0.53
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2B P41595 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51

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
SCHEMBL30140493 1.00 PTGS2 (0.66) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL9273100 0.92 CCNB2 (0.69) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL30300627 0.89 PTGS2 (0.64) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL11505359 0.89 PTGS2 (0.64) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL9089165 0.89 CCNB2 (0.69) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL28950301 0.89 TUBB4A (0.57) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL5840734 0.84 TUBB1 (0.66) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL5840646 0.82 CCNB2 (0.51) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL5840652 0.82 CCNB2 (0.51) PTGS2CCNB2CDK1CCNB1CCNB3
SCHEMBL7440035 0.82 TUBB4A (0.62) CCNB2CDK1CCNB1CCNB3CHRNB2

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
CN-115518096-A Integrated comprehensive extraction and separation method for effective components of epimedium 李玉山 2022-12-27 CN disclosed