SCHEMBL8707488

SCHEMBL8707488

CC(C)C[C@@H](C(=O)CC(O)C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
ABCB1 P08183 2/20 0.48
SLC15A1 P46059 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8713576 0.88 CTSK (0.49) CTSKCTSBCTSSCTSLABCB1
SCHEMBL7000046 0.86 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
SCHEMBL2497060 0.86 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
SCHEMBL2300007 0.86 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
SCHEMBL8895363 0.85 ABCB1 (0.52) CTSKCTSBCTSSCTSLABCB1
SCHEMBL16272898 0.83 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
SCHEMBL26312471 0.82 CTSK (0.56) CTSKCTSBCTSSCTSLABCB1
SCHEMBL11306130 0.81 CTSK (0.58) CTSKCTSBCTSSCTSLABCB1
SCHEMBL11306127 0.81 CTSK (0.58) CTSKCTSBCTSSCTSLABCB1
Leucine SCHEMBL14693625 0.80 CTSK (0.52) CTSKCTSBCTSSCTSLABCB1

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
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed