SCHEMBL29940563

SCHEMBL29940563

Cc1ccc(C)c(N(C)C(=O)C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38
MLYCD O95822 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 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
SCHEMBL20264395 1.00 POLB (0.45) POLBKDM4EMAPTTP53MLYCD
SCHEMBL20277899 0.81 POLB (0.42) POLBKDM4EMAPTTP53MEN1
SCHEMBL11184627 0.79 POLB (0.48) POLBKDM4EMAPTTP53MEN1
SCHEMBL26032149 0.79 POLB (0.48) POLBKDM4EMAPTTP53MEN1
SCHEMBL13091040 0.79 LDHA (0.34) MLYCDMEN1KMT2A
SCHEMBL24011586 0.78 SIGMAR1 (0.45) LMNA
SCHEMBL10944146 0.78 POLB (0.47) POLBKDM4EMAPTTP53MEN1
SCHEMBL20264382 0.75 LMNA (0.45) POLBMAPTMEN1KMT2ATHRB
SCHEMBL29940569 0.75 LMNA (0.45) POLBMAPTMEN1KMT2ATHRB
SCHEMBL27383386 0.74 POLB (0.44) POLBKDM4EMAPTTP53MEN1

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-108203395-B Organoleptic compounds 国际香料和香精公司 2022-09-16 CN disclosed