SCHEMBL7488786

SCHEMBL7488786

O=C(NC(C(=O)c1ccc(O)cc1)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.50
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CES2 O00748 1/20 0.44
MEN1 O00255 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
DEGS1 O15121 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 3/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL7433751 0.92 SLC1A2 (0.57) SLC1A2KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7497460 0.85 SLC1A2 (0.48) SLC1A2KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7440689 0.84 NPC1 (0.47) SLC1A2KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7496442 0.81 LMNA (0.40) KMT2AMAPTTSHRALDH1A1HTT
SCHEMBL7496499 0.81 PPARG (0.48) SLC1A2KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL7434063 0.78 CES2 (0.43) SLC1A2KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7441717 0.75 TSHR (0.43) SLC1A2KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7434399 0.74 ESR1 (0.46) TSHRSMN1; SMN2ALDH1A1HTTCA1
SCHEMBL5908060 0.74 SLC1A2 (0.75) SLC1A2KMT2ASMN1; SMN2ALDH1A1CA1
SCHEMBL7436665 0.74 ALDH1A1 (0.44) SLC1A2KMT2AMAPTTSHRSMN1; SMN2

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
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed