SCHEMBL11021143

SCHEMBL11021143

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1C(O)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSK P43235 4/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 1/20 0.44
ATM Q13315 2/20 0.44
CYP3A4 P08684 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 6/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2D6 P10635 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL11019154 0.87 CTSK (0.49) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL11021140 0.78 MEN1 (0.50) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL8798293 0.76 CTSK (0.54) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL9744407 0.76 CTSK (0.52) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL11019156 0.73 LMNA (0.53) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL10930925 0.72 LTA4H (0.48) MEN1KMT2ACYP3A4TSHRCYP2C9
SCHEMBL15080869 0.72 CTSK (0.61) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL241565 0.72 CTSK (0.61) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL856196 0.72 CTSK (0.61) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL241564 0.72 CTSK (0.61) LMNAMEN1KMT2ACTSKCTSL

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