SCHEMBL28115263

SCHEMBL28115263

C[C@@H](Cc1ccccc1)C(=O)CP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.51
ANPEP P15144 1/20 0.51
ACP3 P15309 1/20 0.50
HPGD P15428 1/20 0.49
CYP3A4 P08684 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC15A1 P46059 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9041162 1.00 LAP3 (0.51) LAP3ANPEPACP3HPGDCYP3A4
SCHEMBL15550825 0.83 TSHR (0.55) ANPEPACP3HPGDTSHRMEN1
SCHEMBL28115038 0.83 TSHR (0.55) ANPEPACP3HPGDTSHRMEN1
SCHEMBL9254459 0.82 LAP3 (0.49) LAP3ANPEPHPGDCYP3A4TSHR
SCHEMBL9254456 0.82 LAP3 (0.49) LAP3ANPEPHPGDCYP3A4TSHR
SCHEMBL12799484 0.82 LAP3 (0.49) LAP3ANPEPHPGDCYP3A4TSHR
SCHEMBL16841375 0.81 LAP3 (0.48) LAP3ANPEPHPGDCYP3A4TSHR
SCHEMBL17475095 0.81 ANPEP (0.47) ANPEPACP3TSHRKMT2A
SCHEMBL17475099 0.81 ANPEP (0.47) ANPEPACP3TSHRKMT2A
SCHEMBL15548807 0.81 ANPEP (0.47) ANPEPACP3TSHRKMT2A

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
CN-104640542-B Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders 开曼化学股份有限公司 2017-09-22 CN disclosed
CN-106748951-A As the difluoro lactam compound of the EP4 receptor selective agonists used in the disease and symptom that treatment EP4 is mediated 开曼化学股份有限公司 2017-05-31 CN disclosed
CN-104583201-B Difluorolactam compounds as EP4 receptor selective agonists for use in the treatment of EP4 mediated diseases and conditions 开曼化学股份有限公司 2016-12-14 CN disclosed