SCHEMBL8668224

SCHEMBL8668224

CN(C)C(=O)CCCC=CC[C@H]1[C@@H](O)CC[C@@H]1C=CCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
TBXA2R P21731 11/20 0.34
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTGFR P43088 3/20 0.32
LMNA P02545 2/20 0.32
PTGER1 P34995 2/20 0.32
PTGER3 P43115 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ABCC4 O15439 1/20 0.32
HPGD P15428 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGDR Q13258 1/20 0.32
SLCO2A1 Q92959 1/20 0.32

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
SCHEMBL7515545 1.00 CNR1 (0.35) CNR1TBXA2RCNR2TRPV1PTGFR
SCHEMBL9179064 1.00 CNR1 (0.35) CNR1TBXA2RCNR2TRPV1PTGFR
SCHEMBL7517233 0.86 SOAT1 (0.37) CNR1TBXA2RPTGFRLMNAPTGER1
SCHEMBL7517738 0.86 TBXA2R (0.42) TBXA2RPTGFRLMNAPTGER1PTGER3
SCHEMBL8670432 0.86 SOAT1 (0.37) CNR1TBXA2RPTGFRLMNAPTGER1
SCHEMBL7511928 0.85
SCHEMBL8938445 0.85
SCHEMBL8671901 0.85
SCHEMBL11787749 0.84 ALDH1A1 (0.45) TBXA2RCNR2LMNAPTGER3ALDH1A1
SCHEMBL11792606 0.84 ALDH1A1 (0.45) TBXA2RCNR2LMNAPTGER3ALDH1A1

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
US-5773654-A 7-(5-substituted cyclopentyl) and (5-substituted cyclopentenyl) heptyl alcohols, heptylamines and heptanoic acid amides, and method of lowering intraocular pressure in the eye of a mammal by administration of these compounds ALLERGAN (US) 1998-06-30 US disclosed
US-5674910-A 7-(5-substituted cyclopentyl) and (5-substituted cyclopentenyl) heptyl alcohols, heptylamines and heptanoic acid amides, and method of lowering intraocular pressure in the eye of a mammal by administration of these novel compounds ALLERGAN (US) 1997-10-07 US disclosed