SCHEMBL22025487

SCHEMBL22025487

CC#CCCC/C=C/C1CC(F)(F)C(=O)N1CCCCCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.65
▸ PTGER2 P43116 13/20 0.57
▸ PTGER3 P43115 6/20 0.57
▸ KCNH2 Q12809 2/20 0.57

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
SCHEMBL18943127 0.85 PTGER4 (0.73) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22025490 0.84 PTGER4 (0.74) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22025485 0.83 PTGER4 (0.73) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22025636 0.80 PTGER4 (0.59) PTGER4PTGER2PTGER3
SCHEMBL18943378 0.80 PTGER4 (0.84) PTGER4PTGER2PTGER3KCNH2
SCHEMBL18943379 0.79 PTGER4 (0.75) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22025652 0.79 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL22025163 0.79 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15550695 0.79 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2
SCHEMBL18123985 0.79 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176162-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2020-05-27 — — EP disclosed
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