SCHEMBL7432804

SCHEMBL7432804

O=C(NC(Cc1ccccc1)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.56
PYGL P06737 2/20 0.55
ACE P12821 2/20 0.51
PTPN1 P18031 1/20 0.50
PIN1 Q13526 1/20 0.50
CTSL P07711 3/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
PSMB5 P28074 2/20 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
SCHEMBL8758974 1.00 CTRB1 (0.56) CTRB1PYGLACEPTPN1PIN1
SCHEMBL7433925 1.00 CTRB1 (0.56) CTRB1PYGLACEPTPN1PIN1
SCHEMBL28736265 1.00 CTRB1 (0.56) CTRB1PYGLACEPTPN1PIN1
SCHEMBL7441125 0.91 CTSL (0.53) CTRB1PYGLACEPTPN1CTSL
SCHEMBL7494172 0.90 PSMB5 (0.48) CTRB1PYGLPTPN1CTSLNPC1
SCHEMBL24009922 0.89 CTRB1 (0.55) CTRB1PYGLACEPIN1CTSL
SCHEMBL14119323 0.89 NPC1 (0.52) CTRB1PYGLPTPN1NPC1RAB9A
SCHEMBL14119290 0.89 PTPN1 (0.50) CTRB1PYGLPTPN1NPC1RAB9A
SCHEMBL7432066 0.87 RAB9A (0.54) CTRB1PYGLNPC1RAB9AHPGD
SCHEMBL14119283 0.87 RAB9A (0.54) CTRB1PYGLPTPN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092730-B Method for preparing optically active alpha-hydroxy-beta-amino acid compound 西华大学 2022-05-13 CN disclosed
EP-0609689-B1 Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KK (JP) 1997-06-04 EP disclosed
US-5399763-A Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
EP-0609689-A1 Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-08-10 EP disclosed
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