SCHEMBL18856945

SCHEMBL18856945

CCCCn1ccc2cc(CC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ CDK4 P11802 4/20 0.44
▸ CCND1 P24385 4/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ RORA P35398 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL16479302 0.90 HTR7 (0.46) PLGPLAUCDK4CCND1HTR7
SCHEMBL19526836 0.87 HTR7 (0.57) CDK4CCND1HTR7PGRRORA
SCHEMBL22930066 0.84 PLG (0.41) PLGPLAUCDK4CCND1HTR7
SCHEMBL18856958 0.83 HTR7 (0.44) PLGPLAUCDK4CCND1HTR7
SCHEMBL16216132 0.83 HTR7 (0.44) PLGPLAUCDK4CCND1HTR7
SCHEMBL14594165 0.83 ACACB (0.47) PLGPLAUCDK4CCND1HTR7
SCHEMBL12257510 0.82 RORC (0.45) PLGPLAUHTR7RORCCYP1A2
SCHEMBL18856946 0.81 HTR2A (0.55) PLGPLAUCDK4CCND1HTR7
SCHEMBL9371544 0.81 PLG (0.48) PLGPLAUKDM4EOXER1MTNR1A
SCHEMBL14117445 0.81 GLO1 (0.46) PLGPLAUCDK4CCND1HTR7

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
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 — — WO disclosed
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