SCHEMBL28114912

SCHEMBL28114912

C[C@@H](CCCCc1ccccc1)C(=O)CP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.52
S1PR4 O95977 2/20 0.52
S1PR1 P21453 2/20 0.52
S1PR3 Q99500 2/20 0.52
LTB4R Q15722 3/20 0.47
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
ACP3 P15309 1/20 0.45
TSHR P16473 1/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 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
SCHEMBL15551372 1.00 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3LTB4R
SCHEMBL15549760 0.99 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3LTB4R
SCHEMBL17475099 0.95 ANPEP (0.47) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL15548807 0.95 ANPEP (0.47) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL17475095 0.95 ANPEP (0.47) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL28115038 0.89 TSHR (0.55) ANPEPERAP1ERAP2ACP3TSHR
SCHEMBL15550825 0.89 TSHR (0.55) ANPEPERAP1ERAP2ACP3TSHR
SCHEMBL28490132 0.85 LTB4R (0.44) S1PR2S1PR4S1PR1S1PR3LTB4R
SCHEMBL15587064 0.85 LTB4R (0.44) S1PR2S1PR4S1PR1S1PR3LTB4R
SCHEMBL17487074 0.84 SMN1; SMN2 (0.46) LTB4RTSHRHPGDKMT2A

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