SCHEMBL23974809

SCHEMBL23974809

CC(=O)ON1C(=O)[C@@H]2C3CCC(C3)[C@@H]2C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 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
SCHEMBL8244205 1.00 KMT2A (0.44) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL24595901 0.83 KMT2A (0.41) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL25734938 0.81 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL1006031 0.76 ALDH1A1 (0.53) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL13495380 0.76 KMT2A (0.45) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL107824 0.76 L3MBTL1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL15172849 0.75 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL1537360 0.73 HTT (0.39) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL5865692 0.73 POLB (0.34)
SCHEMBL18840159 0.73 HTT (0.36) KMT2AALDH1A1KDM4ECYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022061168-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2022-03-24 WO disclosed
WO-2021222777-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS MAGNANI JOHN L (US) 2021-11-04 WO disclosed
WO-2021222767-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2021-11-04 WO disclosed