SCHEMBL11113569

SCHEMBL11113569

C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ATM Q13315 1/20 0.48
PRSS1 P07477 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
KCNA5 P22460 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL11114231 1.00 MAPK1 (0.53) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL11115370 1.00 MAPK1 (0.53) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL21563247 0.91 MAPT (0.57) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL15375242 0.89 MAPK1 (0.55) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL9324497 0.89 MAPK1 (0.55) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL12581559 0.87 MAPK1 (0.53) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL1687312 0.86 ALDH1A1 (0.60) MAPK1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL2627373 0.86 CTSK (0.59) LMNACTSLCTSSCTSBCTSK
SCHEMBL591895 0.86 CTSK (0.59) LMNACTSLCTSSCTSBCTSK
SCHEMBL591894 0.86 CTSK (0.59) LMNACTSLCTSSCTSBCTSK

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-0115473-A2 Substituted pyrrolidinone derivatives and process for their preparation CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed