SCHEMBL9732144

SCHEMBL9732144

CC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 6/20 0.61
MME P08473 6/20 0.54
GAA P10253 1/20 0.54
FOLH1 Q04609 6/20 0.50
RIMKLA Q8IXN7 1/20 0.50
GGH Q92820 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL31294222 0.92 NAALAD2 (0.53) NAALAD2MMEGAA
SCHEMBL31294614 0.92 NAALAD2 (0.53) NAALAD2MMEGAA
SCHEMBL5283204 0.88 KMT2A (0.56) NAALAD2MMEACE
SCHEMBL18493709 0.86 MME (0.56) MMEACE
SCHEMBL7374278 0.86 MME (0.71) MME
SCHEMBL28885066 0.84 GPR88 (0.48) NAALAD2GAA
SCHEMBL6138235 0.83 MME (0.56) MME
SCHEMBL2325127 0.82 LTA4H (0.56) MME
SCHEMBL2325133 0.82 LTA4H (0.56) MME
SCHEMBL2323705 0.81 MME (0.54) MME

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-5162333-A Treating transplantation rejection, autoimmune diseases, antiinflammatory AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-10 US disclosed