SCHEMBL5761771

SCHEMBL5761771

COC(=O)CCCCCCN1C(=O)CCCC1C/C=C(\O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.46
PTGER3 P43115 2/20 0.41
PTGER2 P43116 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL5757536 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MEN1ALDH1A1
SCHEMBL5761598 0.90 PTGER4 (0.44) PTGER4PTGER3PTGER2TSHR
SCHEMBL5502580 0.90 PTGER4 (0.48) PTGER4
SCHEMBL5757165 0.89 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL5761562 0.89 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL5745965 0.89 PTGER4 (0.42) PTGER4HCRTR1HCRTR2
SCHEMBL5761636 0.88 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL5763606 0.85 PTGER4 (0.37) PTGER4ALDH1A1KDM4ELMNAHCRTR1
SCHEMBL4375308 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2MEN1ALDH1A1
SCHEMBL5760085 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2MEN1ALDH1A1

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