SCHEMBL11019154

SCHEMBL11019154

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1C(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CTSB P07858 1/20 0.49
ATM Q13315 2/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
CAPN1 P07384 1/20 0.46
ELANE P08246 1/20 0.46
CTRB1 P17538 2/20 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
SCHEMBL11021143 0.87 LMNA (0.45) CTSKCTSLCTSSCTSBATM
SCHEMBL241564 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL856196 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL241565 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBATM
Hydrochloric Acid SCHEMBL7400990 0.81 CTSK (0.60) CTSKCTSLCTSSCTSBATM
Hydrochloric Acid SCHEMBL7400995 0.81 CTSK (0.60) CTSKCTSLCTSSCTSBATM
SCHEMBL9744407 0.81 CTSK (0.52) CTSKCTSLCTSSCTSBATM
SCHEMBL8798293 0.81 CTSK (0.54) CTSKCTSLCTSSCTSBATM
SCHEMBL10529300 0.80 PPARA (0.40) CTSKCTSLCTSSCTSBATM
SCHEMBL8177898 0.78 CTSK (0.62) CTSKCTSLCTSSCTSBATM

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-0153418-A1 MANDELIC ACID DERIVATIVES Kyoto Pharmaceutical Industries, Ltd. (JP) 1985-09-04 EP disclosed