SCHEMBL18123934

SCHEMBL18123934

CCCCCC(O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 16/20 1.00
▸ PTGER2 P43116 8/20 1.00
▸ PTGER3 P43115 6/20 1.00
▸ KCNH2 Q12809 1/20 0.65
▸ TSHR P16473 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ PTGIR P43119 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL19328437 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL15586916 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL18123935 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL16819470 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL15549258 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL15549261 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL15549260 1.00 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2TSHR
SCHEMBL16819283 0.89 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549891 0.89 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22024698 0.89 PTGER4 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875022-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2016-10-12 — — EP claimed
EP-2874620-B1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2016-10-12 — — EP claimed
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