SCHEMBL7366210

SCHEMBL7366210

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
CAPN1 P07384 3/20 0.51
CCR1 P32246 2/20 0.50
XIAP P98170 2/20 0.49
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
ACE P12821 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL7395725 0.91 CAPN1 (0.48) CTSLCTSBCTSKCAPN1CCR1
SCHEMBL7356416 0.90 PREP (0.49) CTSKCAPN1ACE
SCHEMBL3729400 0.86 ACE (0.57) XIAPACE
SCHEMBL7269341 0.86 ACE (0.57) XIAPACE
SCHEMBL13260016 0.83 XIAP (0.54) CTSLCTSBCTSKCAPN1CCR1
SCHEMBL3722619 0.83 XIAP (0.54) CTSLCTSBCTSKCAPN1CCR1
SCHEMBL10879562 0.81 ACE (0.48) ACE
SCHEMBL10646920 0.79 NPC1 (0.52) ACE
SCHEMBL7475934 0.79 NPC1 (0.52) ACE
SCHEMBL9608877 0.76 XIAP (0.51) CTSLCTSBCTSKCAPN1CCR1

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-0051301-A1 1-Carboxy-azaalkyl-indolin-2-carboxylic acids, process for preparing them, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed