SCHEMBL27420126

SCHEMBL27420126

Cc1c(-c2ccc(C(C)C)cc2)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
KIF11 P52732 2/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
AHR P35869 1/20 0.48
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
F2 P00734 1/20 0.42
VDR P11473 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
DAO P14920 1/20 0.41
DDO Q99489 1/20 0.41
DHODH Q02127 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL10067341 0.82 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3CYP11B1
SCHEMBL16454837 0.82 F2 (0.56) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL27549070 0.82 CYP11B1 (0.57) KIF11CYP11B1CYP11B2AHRF2
SCHEMBL1260425 0.81 CYP11B1 (0.66) CYP11B1CYP11B2AHRF2ESR1
SCHEMBL27568891 0.79 CYP11B1 (0.48) CCNB2CDK1CCNB1CCNB3CYP11B1
SCHEMBL5306250 0.79 CYP11B1 (0.54) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL695242 0.79 MAPK14 (0.55) CYP11B1CYP11B2AHRMAPK14MAPT
SCHEMBL9775886 0.79 ESR1 (0.66) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL29556390 0.79 ESR1 (0.66) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL15331960 0.78 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3KIF11

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-1106383-C Estrogenic agents AMERICAN HOME PROD (US) 2003-04-23 CN disclosed
CN-1170719-A Estrogenic agents AMERICAN HOME PROD (US) 1998-01-21 CN disclosed