SCHEMBL30515422

SCHEMBL30515422

C[C@H](NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 1/20 0.52
LMNA P02545 3/20 0.46
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TACR1 P25103 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
NAMPT P43490 1/20 0.43
PABPC1 P11940 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1295440 0.96 FKBP4 (0.53) FKBP4LMNAKCNH2ALDH1A1TACR1
SCHEMBL11435718 0.90 NAMPT (0.48) FKBP4LMNAKCNH2ALDH1A1TACR1
SCHEMBL29558027 0.89 FKBP4 (0.55) FKBP4ALDH1A1TACR1
SCHEMBL14050092 0.87 FKBP4 (0.57) FKBP4ALDH1A1TACR1TRPV1MEN1
SCHEMBL10305897 0.85 FKBP4 (0.70) FKBP4TACR1
SCHEMBL29361508 0.85 FKBP4 (0.70) FKBP4TACR1
SCHEMBL1296384 0.85 LMNA (0.48) LMNAKCNH2ALDH1A1TACR1TRPV1
SCHEMBL27824844 0.85 LMNA (0.48) LMNAKCNH2ALDH1A1TACR1TRPV1
SCHEMBL29393137 0.83 FKBP4 (0.49) FKBP4KCNH2ALDH1A1TACR1
SCHEMBL30610198 0.83 ALDH1A1 (0.50) FKBP4LMNAALDH1A1NAMPTPABPC1

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-116410962-A Prolyl endopeptidase mutant and application thereof 四川大学 2023-07-11 CN disclosed