SCHEMBL9028683

SCHEMBL9028683

CCCN(CCCCCCCCCCc1c(OC)ccc2[nH]c(-c3ccc(OC)cc3)c(C)c12)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ZAP70 P43403 1/20 0.37
CDK5 Q00535 1/20 0.37
PTK2B Q14289 1/20 0.37
CDK5R1 Q15078 1/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
DRD2 P14416 5/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 2/20 0.35

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
SCHEMBL9029025 0.84 FNTA (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7696222 0.80 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9027913 0.80 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8791452 0.79 CCNB2 (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789465 0.78 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789634 0.78 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9026910 0.77 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9029036 0.76 TLR9 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8790583 0.76 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9028624 0.76 TLR7 (0.42) TLR9TLR7TLR8

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
EP-0736008-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1996-10-09 EP disclosed
WO-1995017383-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1995-06-29 WO disclosed