SCHEMBL8670432

SCHEMBL8670432

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.34
ABCC4 O15439 1/20 0.34
HPGD P15428 1/20 0.34
TBXA2R P21731 5/20 0.34
PTGFR P43088 4/20 0.32
PTGER1 P34995 2/20 0.32
PTGER3 P43115 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGER2 P43116 1/20 0.32
PTGER4 P35408 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
SCHEMBL7517233 1.00 SOAT1 (0.37) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL7517738 0.90 TBXA2R (0.42) MEN1KMT2ALMNAABCC4HPGD
SCHEMBL8938445 0.89
SCHEMBL8671901 0.89
SCHEMBL7511928 0.89
SCHEMBL11787749 0.86 ALDH1A1 (0.45) KDM4ELMNATBXA2RPTGER3ALDH1A1
SCHEMBL11792606 0.86 ALDH1A1 (0.45) KDM4ELMNATBXA2RPTGER3ALDH1A1
SCHEMBL8668224 0.86 CNR1 (0.35) CNR1LMNAABCC4HPGDTBXA2R
SCHEMBL9179064 0.86 CNR1 (0.35) CNR1LMNAABCC4HPGDTBXA2R
SCHEMBL7515545 0.86 CNR1 (0.35) CNR1LMNAABCC4HPGDTBXA2R

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