SCHEMBL9027686

SCHEMBL9027686

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NR1I2 O75469 1/20 0.36
MAPK10 P53779 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
INSR P06213 1/20 0.35
CDK1 P06493 1/20 0.35
CFTR P13569 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 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
SCHEMBL9356958 0.80 NR1I2 (0.40) NR1I2MAPK10CCNB2CCNE2INSR
SCHEMBL9029036 0.80 TLR9 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789835 0.80 ESR1 (0.47) ALDH1A1MAPK10CCNB2CCNE2INSR
SCHEMBL8790260 0.79 ESR1 (0.39) ALDH1A1NR1I2MAPK10CCNB2CCNE2
SCHEMBL8789330 0.78 CCNB2 (0.40) ALDH1A1NR1I2MAPK10CCNB2CCNE2
SCHEMBL8792445 0.78 CCNB2 (0.38) ALDH1A1NR1I2MAPK10CCNB2CCNE2
SCHEMBL7692326 0.78 ESR1 (0.43) ALDH1A1NR1I2MAPK10CCNB2CCNE2
SCHEMBL8790299 0.78 CCNB2 (0.41) ALDH1A1NR1I2MAPK10CCNB2CCNE2
SCHEMBL8789669 0.76 NR1I2 (0.32) NR1I2
SCHEMBL7693402 0.76 MCL1 (0.39) NR1I2

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