SCHEMBL9053052

SCHEMBL9053052

CCOC(=O)OC1CN(C2c3ccccc3-c3ccccc32)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 3/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL9056076 0.81 MAPT (0.50) L3MBTL1POLBALDH1A1KDM4EHPGD
SCHEMBL9054959 0.73 MAPT (0.42) L3MBTL1POLBALDH1A1KDM4EHPGD
SCHEMBL29229610 0.72 POLB (0.47) L3MBTL1POLBALDH1A1KDM4ECYP1A2
SCHEMBL9042425 0.70 GAA (0.41) POLBALDH1A1KDM4EHPGDCYP1A2
SCHEMBL9042389 0.69 ALDH1A1 (0.47) L3MBTL1POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9043948 0.68 KMT2A (0.47) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL9042485 0.68 ALDH1A1 (0.46) L3MBTL1POLBALDH1A1KDM4EHPGD
SCHEMBL9043162 0.68 SMN1; SMN2 (0.48) L3MBTL1POLBALDH1A1KDM4EHPGD
SCHEMBL9042445 0.67 LMNA (0.42) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3004854 0.65 ALDH1A1 (0.43) L3MBTL1POLBALDH1A1KDM4EHPGD

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
EP-0553130-B1 PYRROLIDINE DIONE DERIVATIVES PFIZER (US) 1996-01-03 EP claimed