SCHEMBL7268784

SCHEMBL7268784

NC(=O)CCC(C(=O)O)N(Cc1ccccc1C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38
FOLH1 Q04609 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A1 P43005 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC1A5 Q15758 3/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL7268787 1.00 ALDH1A1 (0.41) ALDH1A1MMEECE1FOLH1LMNA
SCHEMBL7126845 0.87 ALDH1A1 (0.48) ALDH1A1MMEECE1FOLH1LMNA
SCHEMBL8765302 0.78 FOLH1 (0.50) ALDH1A1FOLH1LMNAPOLBHSD17B10
SCHEMBL6849355 0.78 FOLH1 (0.50) ALDH1A1FOLH1LMNAPOLBHSD17B10
SCHEMBL8765293 0.78 FOLH1 (0.50) ALDH1A1FOLH1LMNAPOLBHSD17B10
SCHEMBL3402177 0.75 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL8020376 0.74 FOLH1 (0.41) ALDH1A1MMEECE1FOLH1SLC1A3
SCHEMBL29395689 0.74 MME (0.38) ALDH1A1MMEECE1FOLH1L3MBTL1
SCHEMBL27604114 0.74 FOLH1 (0.40) ALDH1A1MMEECE1FOLH1L3MBTL1
SCHEMBL18343735 0.74 MME (0.38) ALDH1A1MMEECE1FOLH1L3MBTL1

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
US-6656937-B2 Immunology moderators; interleukin antagonist; anticancer agents GRUENENTHAL, GMBH (DE) 2003-12-02 US disclosed