SCHEMBL9658488

SCHEMBL9658488

CCC(C)OC(=O)[C@H](CC(C)C)N1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL9658608 1.00 MAPT (0.35) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL15623808 0.75 ALDH1A1 (0.53) ALDH1A1PKMSMN1; SMN2SLC1A2
SCHEMBL1902141 0.74 ALDH1A1 (0.40) ALDH1A1PKMKMT2AMEN1TAAR1
SCHEMBL3736109 0.72 ALDH1A1 (0.35) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL15024047 0.71 ALDH1A1 (0.37) MAPTTP53ALDH1A1PKMSMN1; SMN2
SCHEMBL15511368 0.70 CA1 (0.41) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL542270 0.69 ALDH1A1 (0.50) ALDH1A1PKMSMN1; SMN2LMNACA12
SCHEMBL5705701 0.69 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2LMNACA12
SCHEMBL7218065 0.69 MAPT (0.39) MAPT
SCHEMBL21459412 0.68 ALDH1A1 (0.42) MAPTTP53ALDH1A1PKMKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315716-B1 METHOD OF MAKING A DIASTEREOMERIC MIXTURE CONTAINING TWO DIASTEREOMERIC N-ACYL-AMINO ACID ESTERS THE STANDARD OIL COMPANY (US) 1992-09-02 EP disclosed
EP-0315716-A1 Method of making a diastereomeric mixture containing two diastereomeric N-acyl-amino acid esters THE STANDARD OIL COMPANY (US) 1989-05-17 EP disclosed
US-4721803-A Method of making a diastereomeric mixture containing two diastereomeric N-acyl-amino acid esters THE STANDARD OIL COMPANY (US) 1988-01-26 US disclosed