SCHEMBL7433751

SCHEMBL7433751

O=C(NC(C(=O)c1ccccc1)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.57
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 2/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
CA1 P00915 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HDAC3 O15379 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
SCHEMBL7488786 0.92 SLC1A2 (0.50) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7440689 0.88 NPC1 (0.47) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7497460 0.86 SLC1A2 (0.48) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7496499 0.85 PPARG (0.48) SLC1A2ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL7434063 0.84 CES2 (0.43) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7441717 0.81 TSHR (0.43) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5908060 0.81 SLC1A2 (0.75) SLC1A2ALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7436665 0.80 ALDH1A1 (0.44) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL10350085 0.77 MAPT (0.56) SLC1A2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7437423 0.77 PPARA (0.47) PPARGPPARAIDO1

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