SCHEMBL29320150

SCHEMBL29320150

C[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
PTGS2 P35354 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MME P08473 6/20 0.53
ACE P12821 5/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
ECE1 P42892 2/20 0.50
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL9068729 1.00 ALDH1A1 (0.63) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL25626773 0.83 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11206052 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL5404763 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11206050 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL232608 0.80 MME (0.60) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL1642433 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL928741 0.79
SCHEMBL23408865 0.78 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL22652505 0.78 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1

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
WO-2024146920-A1 DRUG CONJUGATES FOR THE TREATMENT OF OCULAR DISORDERS ASCENDIS PHARMA OPHTHALMOLOGY DIVISION A/S (DK) 2024-07-11 WO disclosed