SCHEMBL8790299

SCHEMBL8790299

CCCCCSCCCCCCCCCCc1c(O)ccc2[nH]c(-c3ccc(O)cc3)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.41
CDK1 P06493 4/20 0.41
CCNB1 P14635 4/20 0.41
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CCNE2 O96020 1/20 0.41
INSR P06213 1/20 0.41
CFTR P13569 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL8789835 0.86 ESR1 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789330 0.85 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7692326 0.85 ESR1 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8790260 0.81 ESR1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9356958 0.81 NR1I2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8792445 0.81 CCNB2 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789669 0.80 NR1I2 (0.32) NR1I2
SCHEMBL8790282 0.79 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789363 0.78 MAPK1 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9027686 0.78 ALDH1A1 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772591-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-14 EP claimed
WO-1996003375-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-08 WO claimed
EP-0772591-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed
WO-1996003375-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed