SCHEMBL9029036

SCHEMBL9029036

CCN(CC)C(=O)CCCCCCCCCCc1c(OC)ccc2[nH]c(-c3ccc(OC)cc3)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.41
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
TACR1 P25103 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8789573 0.82 BCHE (0.38) TLR9TLR8TLR7CCNB2CDK1
SCHEMBL9029025 0.81 FNTA (0.38) TLR9TLR8TLR7CCNB2CDK1
SCHEMBL9027913 0.80 CCNB2 (0.42) TLR9TLR7CCNB2CDK1CCNB1
SCHEMBL7696222 0.80 CCNB2 (0.42) TLR9TLR7CCNB2CDK1CCNB1
SCHEMBL9027686 0.80 ALDH1A1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7689050 0.79 BCHE (0.40) TLR9TLR8TLR7TACR1
SCHEMBL7688997 0.79 ESR1 (0.46) TLR9TLR8TLR7TACR1
SCHEMBL8789465 0.78 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789634 0.78 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8791452 0.78 CCNB2 (0.48) CCNB2CDK1CCNB1GSK3AGSK3B

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