SCHEMBL11021140

SCHEMBL11021140

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
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
CYP3A4 P08684 6/20 0.47
TSHR P16473 6/20 0.47
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
ELANE P08246 1/20 0.46
CTRB1 P17538 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
SCHEMBL11019146 0.89 CYP3A4 (0.54) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL13823084 0.82 CTSK (0.57) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL10618853 0.81 CTSK (0.44) MEN1KMT2ACTSKCTSSATM
SCHEMBL15080869 0.80 CTSK (0.61) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL30946598 0.80 CTSK (0.61) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL16050481 0.79 CTSK (0.55) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL5075275 0.79 CTSK (0.60) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL7674223 0.79 MAPT (0.61) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL5412160 0.79 MAPT (0.61) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL939737 0.79 MAPT (0.61) MEN1LMNAKMT2ACTSKCTSL

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