SCHEMBL1722707

SCHEMBL1722707

NN(C(=O)O)C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.51
PLAU P00749 1/20 0.51
ALDH1A1 P00352 1/20 0.50
OPRK1 P41145 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
TGM2 P21980 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL8913074 0.82 CTSL (0.69) CTSLCTSBCTSSCTSKLMNA
SCHEMBL13257317 0.81 CTSL (0.60) CTSLCTSBCTSSCTSKLMNA
SCHEMBL2820683 0.80 LMNA (0.61) CTSLCTSBCTSSCTSKLMNA
SCHEMBL5485588 0.80 LMNA (0.61) CTSLCTSBCTSSCTSKLMNA
SCHEMBL126974 0.79 HTT (0.66) CTSLCTSBCTSSCTSKLMNA
SCHEMBL11783251 0.79 HTT (0.66) CTSLCTSBCTSSCTSKLMNA
SCHEMBL6741072 0.79 LMNA (0.65) CTSLCTSBCTSSCTSKLMNA
SCHEMBL764273 0.78 CTSL (0.64) CTSLCTSBCTSSCTSKLMNA
SCHEMBL21128024 0.78 CTSL (0.54) CTSLCTSBCTSSCTSKLMNA
Hydrochloric Acid SCHEMBL8688569 0.78 HTT (0.64) CTSLCTSBCTSSCTSKLMNA

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
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed