SCHEMBL5761850

SCHEMBL5761850

COC(=O)CCCC#CCN1C(=O)CCCC1CCC(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CAPN1 P07384 1/20 0.34
P2RX7 Q99572 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5762978 1.00 PTGER4 (0.37) PTGER4HCRTR1HCRTR2LMNAKDM4E
SCHEMBL14277461 0.97 PTGER4 (0.36) PTGER4HCRTR1HCRTR2LMNAKDM4E
SCHEMBL5762200 0.90 PTGER4 (0.39) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14277463 0.87 PTGER4 (0.37) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4379665 0.86 HCRTR1 (0.35) PTGER4HCRTR1HCRTR2LMNAKDM4E
SCHEMBL4379670 0.86 HCRTR1 (0.35) PTGER4HCRTR1HCRTR2LMNAKDM4E
SCHEMBL5763606 0.86 PTGER4 (0.37) PTGER4HCRTR1HCRTR2LMNAKDM4E
SCHEMBL4375308 0.85 PTGER4 (0.46) PTGER4LMNAKDM4EALDH1A1
SCHEMBL5760085 0.85 PTGER4 (0.46) PTGER4LMNAKDM4EALDH1A1
SCHEMBL14302056 0.83 PTGER4 (0.44) PTGER4LMNAKDM4EALDH1A1

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
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP claimed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO claimed
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed