SCHEMBL8741982

SCHEMBL8741982

C=CC(=O)N[C@@H](Cc1ccccc1CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.44
ACE P12821 8/20 0.44
CPA1 P15085 7/20 0.44
ACE2 Q9BYF1 7/20 0.44
ALOX15 P16050 1/20 0.42
TGM2 P21980 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
NOS2 P35228 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL3659561 0.83 HRH4 (0.57) MMEACECPA1ACE2ALOX15
SCHEMBL8741981 0.82 TGM2 (0.39) MMEACECPA1ACE2ALOX15
SCHEMBL29214532 0.81 MME (0.58) MMEACECPA1ACE2NOS2
SCHEMBL1135183 0.81 MME (0.58) MMEACECPA1ACE2NOS2
SCHEMBL1135185 0.81 MME (0.58) MMEACECPA1ACE2NOS2
SCHEMBL30511869 0.76 ALOX15 (0.70) ACEALOX15
SCHEMBL29467454 0.76 ALOX15 (0.70) ACEALOX15
SCHEMBL1710797 0.76 ALOX15 (0.70) ACEALOX15
SCHEMBL8191377 0.76 ALOX15 (0.70) ACEALOX15
SCHEMBL25003474 0.73 TAAR1 (0.48) MMEACECPA1ACE2ALOX15

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
EP-0738155-A4 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE PARTNERS L P (US) 1997-03-19 EP disclosed
EP-0738155-A1 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE, INC. (US) 1996-10-23 EP disclosed
EP-0649443-A4 OXAZOLONE DERIVED MATERIALS. LEGOMER PARTNERS LP (US) 1995-11-08 EP disclosed
WO-1995017903-A1 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE PARTNERS, L.P. (US) 1995-07-06 WO disclosed
EP-0649443-A1 OXAZOLONE DERIVED MATERIALS LEGOMER PARTNERS, L.P. (US) 1995-04-26 EP disclosed
WO-1994000509-A9 OXAZOLONE DERIVED MATERIALS 1994-03-17 WO disclosed
WO-1994000509-A1 OXAZOLONE DERIVED MATERIALS LEGOMER PARTNERS, L.P. (US) 1994-01-06 WO disclosed