SCHEMBL28419447

SCHEMBL28419447

O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.74
PTPN1 P18031 2/20 0.73
CA2 P00918 2/20 0.69
CA1 P00915 1/20 0.69
GPR132 Q9UNW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
CTSL P07711 3/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
ITGB3 P05106 1/20 0.60
ITGA2B P08514 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
CTRB1 P17538 2/20 0.59
MME P08473 1/20 0.59

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
SCHEMBL28419446 1.00 ACE (0.74) ACEPTPN1CA2CA1GPR132
SCHEMBL111236 0.98 ACE (0.76) ACEPTPN1CA2CA1GPR132
SCHEMBL111235 0.98 ACE (0.76) ACEPTPN1CA2CA1GPR132
SCHEMBL528464 0.98 ACE (0.76) ACEPTPN1CA2CA1GPR132
Hydrochloric Acid SCHEMBL10622640 0.97 ACE (0.74) ACEPTPN1CA2CA1GPR132
SCHEMBL4357736 0.92 ACE (0.68) ACEPTPN1CA2CA1GPR132
SCHEMBL4356229 0.92 ACE (0.68) ACEPTPN1CA2CA1GPR132
SCHEMBL2632872 0.90 PTPN1 (0.74) ACEPTPN1CA2CA1L3MBTL1
SCHEMBL6857183 0.90 PTPN1 (0.69) ACEPTPN1CA2CA1GPR132
SCHEMBL10033681 0.90 PTPN1 (0.69) ACEPTPN1CA2CA1GPR132

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
CN-111303086-A Chiral hydroxy lactone amide compound and synthesis method thereof 温州大学 2020-06-19 CN disclosed