SCHEMBL6849355

SCHEMBL6849355

O=C(O)CC[C@H](C(=O)O)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPOR P19235 1/20 0.46
CPA3 P15088 1/20 0.43
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 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
SCHEMBL8765293 1.00 FOLH1 (0.50) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8765302 1.00 FOLH1 (0.50) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7126845 0.90 ALDH1A1 (0.48) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8764783 0.86 ALDH1A1 (0.52) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8764792 0.86 ALDH1A1 (0.52) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7363077 0.85 ALDH1A1 (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL10333560 0.85 ALDH1A1 (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3795262 0.84 CPA3 (0.51) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7275088 0.83 ALDH1A1 (0.52) FOLH1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3791586 0.83 EPOR (0.47) FOLH1ALDH1A1LMNAPOLBHSD17B10

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-1390358-A4 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS INC (US) 2004-06-16 EP disclosed
EP-1390358-A1 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS, INC. (US) 2004-02-25 EP disclosed
WO-2002074759-A1 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS, INC. (US) 2002-09-26 WO disclosed