SCHEMBL5760085

SCHEMBL5760085

COC(=O)CCCCCCN1C(=O)CCC[C@@H]1CCC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.46
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGER3 P43115 1/20 0.40
PTGER2 P43116 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
SCHEMBL4375308 1.00 PTGER4 (0.46) PTGER4MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL5790323 0.97 PTGER4 (0.49) PTGER4PTGER3PTGER2
SCHEMBL14277452 0.97 PTGER4 (0.43) PTGER4MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL14302056 0.96 PTGER4 (0.44) PTGER4MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL1380590 0.90 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL1380595 0.90 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL5502471 0.90 PTGER4 (0.46) PTGER4
SCHEMBL4375002 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL14277455 0.86 PTGER4 (0.50) PTGER4PTGER3PTGER2
SCHEMBL4685746 0.86 PTGER4 (0.43) PTGER4PTGER3PTGER2

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-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