SCHEMBL28427872

SCHEMBL28427872

O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 10/20 0.52
▸ PTGER3 P43115 6/20 0.52
▸ PTGER2 P43116 5/20 0.52
▸ KCNH2 Q12809 1/20 0.47
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 4/20 0.39
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL28427873 1.00 PTGER4 (0.52) PTGER4PTGER3PTGER2KCNH2PTGS1
SCHEMBL16401236 0.84 PTGER4 (0.41) PTGER4PTGER3PTGER2KCNH2MEN1
SCHEMBL16058266 0.81 PTGER4 (0.64) PTGER4PTGER3PTGER2KCNH2PTGS1
SCHEMBL28436522 0.81 PTGER4 (0.64) PTGER4PTGER3PTGER2KCNH2PTGS1
SCHEMBL21658923 0.73 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2
SCHEMBL11624805 0.72 PTGER4 (0.59) PTGER4PTGER3PTGER2
SCHEMBL21658922 0.72 PTGER2 (0.71) PTGER4PTGER3PTGER2KCNH2
SCHEMBL18943090 0.68 PTGS1 (0.42) PTGER4PTGER3PTGER2KCNH2PTGS1
SCHEMBL18942713 0.68 PTGER4 (0.43) PTGER4PTGER3PTGER2KCNH2MEN1
SCHEMBL11399389 0.67 PTGS1 (0.47) PTGER4PTGER3PTGER2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107802623-B Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders 开曼化学股份有限公司 2020-10-30 — — CN disclosed
CN-106748951-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 2020-07-24 — — CN disclosed
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