SCHEMBL28115038

SCHEMBL28115038

C[C@@H](CCc1ccccc1)C(=O)CP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ERAP1 Q9NZ08 4/20 0.54
ERAP2 Q6P179 3/20 0.54
ANPEP P15144 2/20 0.54
ACP3 P15309 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
IL1RN P18510 2/20 0.45
CYP2D6 P10635 1/20 0.44
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 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
SCHEMBL15550825 1.00 TSHR (0.55) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL17475099 0.91 ANPEP (0.47) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL15548807 0.91 ANPEP (0.47) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL17475095 0.91 ANPEP (0.47) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL28114912 0.89 S1PR2 (0.52) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL15551372 0.89 S1PR2 (0.52) TSHRERAP1ERAP2ANPEPACP3
SCHEMBL15549760 0.88 S1PR2 (0.55) ERAP1ERAP2ANPEPACP3
SCHEMBL9041162 0.83 LAP3 (0.51) TSHRANPEPACP3KMT2AMEN1
SCHEMBL28115263 0.83 LAP3 (0.51) TSHRANPEPACP3KMT2AMEN1
SCHEMBL15586998 0.83 TSHR (0.51) TSHRERAP1ERAP2ANPEPACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107802623-A For the bone related disease of EP4 mediations and the difluoro lactam composition of illness 开曼化学股份有限公司 2018-03-16 CN disclosed
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