SCHEMBL11538378

SCHEMBL11538378

CC(=O)OC(C)=O.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.64
PTPN1 P18031 2/20 0.63
CA2 P00918 2/20 0.60
CA1 P00915 2/20 0.60
GPR132 Q9UNW8 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
CTSL P07711 4/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL111236 0.89 ACE (0.76) ACEPTPN1CA2CA1GPR132
SCHEMBL528464 0.89 ACE (0.76) ACEPTPN1CA2CA1GPR132
SCHEMBL111235 0.89 ACE (0.76) ACEPTPN1CA2CA1GPR132
SCHEMBL28419446 0.88 ACE (0.74) ACEPTPN1CA2CA1GPR132
Hydrochloric Acid SCHEMBL10622640 0.88 ACE (0.74) ACEPTPN1CA2CA1GPR132
SCHEMBL28419447 0.88 ACE (0.74) ACEPTPN1CA2CA1GPR132
SCHEMBL16611507 0.85 ITGB3 (0.62) ACEPTPN1CA2CA1GPR132
SCHEMBL16611508 0.85 ITGB3 (0.62) ACEPTPN1CA2CA1GPR132
D-Phenylalanine SCHEMBL10761946 0.84 CA2 (0.65) ACEPTPN1CA2CA1GPR132
Phenylalanine SCHEMBL10760080 0.84 CA2 (0.65) 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
US-4151198-A Resolution of N-acyl-DL (+)-phenylalanines AMERICAN CYANAMID COMPANY (US) 1979-04-24 US disclosed