SCHEMBL29940569

SCHEMBL29940569

CCCCC(CC)C(=O)N(C)c1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CA2 P00918 6/20 0.40
CA1 P00915 4/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20264382 1.00 LMNA (0.45) LMNACA2CA1MAPK1POLB
SCHEMBL20277899 0.89 POLB (0.42) POLBMEN1KMT2AGAACYP1A2
SCHEMBL29940563 0.75 POLB (0.45) LMNAPOLBMEN1KMT2AGAA
SCHEMBL20264395 0.75 POLB (0.45) LMNAPOLBMEN1KMT2AGAA
SCHEMBL9001866 0.73 MAPK1 (0.49) LMNACA2CA1MAPK1POLB
SCHEMBL21305023 0.70 ALDH1A1 (0.36) LMNACA2MAPK1CYP3A4ALDH1A1
SCHEMBL26032149 0.69 POLB (0.48) POLBMEN1KMT2AGAACYP2C9
SCHEMBL11184627 0.69 POLB (0.48) POLBMEN1KMT2AGAACYP2C9
SCHEMBL20278053 0.69 SMN1; SMN2 (0.45) LMNAPOLBMEN1KMT2ACYP1A2
SCHEMBL1882756 0.69 CA2 (0.59) CA2CA1MAPK1MEN1KMT2A

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