SCHEMBL29485643

SCHEMBL29485643

CCCCc1c(O)ccc(-c2ccc(O)cc2)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
CFTR P13569 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK10 P53779 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL28638714 1.00 MAPK1 (0.43) MAPK1CCNB2CCNE2INSRCDK1
SCHEMBL4759114 0.93 PTGS2 (0.51) TYRESR1ADRA2AADORA3TACR2
SCHEMBL29485631 0.89 ESR1 (0.50) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL28643444 0.89 ESR1 (0.50) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL947755 0.88 ESR1 (0.49) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL29925513 0.86 HPGD (0.43) MAPK1ESR1KDM4EALDH1A1LMNA
SCHEMBL29000465 0.86 HPGD (0.43) MAPK1ESR1KDM4EALDH1A1LMNA
SCHEMBL11098787 0.85 NPC1 (0.50) MAPK1TYRESR1KDM4EALDH1A1
SCHEMBL324414 0.85 HPGD (0.43) MAPK1ESR1KDM4EALDH1A1LMNA
SCHEMBL710654 0.81 HPGD (0.58) MAPK1TYRESR1ADRA2AADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276531-A Bischloroformate composition and process for producing the same, polycarbonate resin and process for producing the same, electrophotographic photoreceptor and electrophotographic apparatus 出光兴产株式会社 2022-04-05 CN disclosed