SCHEMBL8411897

SCHEMBL8411897

O=C(O)CC[C@H](NCCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.56
NAALAD2 Q9Y3Q0 2/20 0.50
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GGT1 P19440 1/20 0.44
GGH Q92820 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL8411894 1.00 FOLH1 (0.56) FOLH1NAALAD2HTTALDH1A1MEN1
SCHEMBL28409358 0.88 FOLH1 (0.55) FOLH1NAALAD2HTTALDH1A1MME
SCHEMBL28409360 0.88 FOLH1 (0.55) FOLH1NAALAD2HTTALDH1A1MME
SCHEMBL21508983 0.80 ALDH1A1 (0.41) FOLH1HTTALDH1A1MEN1HPGD
SCHEMBL27495948 0.80 NAALAD2 (0.57) FOLH1NAALAD2MAPK1GGT1GGH
SCHEMBL27495949 0.80 NAALAD2 (0.57) FOLH1NAALAD2MAPK1GGT1GGH
SCHEMBL23901605 0.80 ALDH1A1 (0.54) HTTALDH1A1MEN1HPGDKMT2A
SCHEMBL22750115 0.80 FOLH1 (0.57) FOLH1NAALAD2ALDH1A1MEN1HPGD
SCHEMBL22750112 0.80 FOLH1 (0.57) FOLH1NAALAD2ALDH1A1MEN1HPGD
SCHEMBL25485859 0.80 FOLH1 (0.57) FOLH1NAALAD2ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO disclosed