SCHEMBL23364439

SCHEMBL23364439

CC(C)C([C]=O)=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
POLB P06746 2/20 0.36
MAOA P21397 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.32
MC4R P32245 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12870972 0.74 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL19130728 0.69 POLB (0.41) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL8083467 0.68 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL12018164 0.67 POLB (0.41) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL13191817 0.66 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL4067426 0.65 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL2324941 0.65
SCHEMBL14959874 0.64 POLB (0.46) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL7323969 0.64 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL7323961 0.64 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
WO-2021097183-A1 DEVICE AND METHOD FOR ANALYTE DETECTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-20 WO disclosed