SCHEMBL8342096

SCHEMBL8342096

CCCCCCCCCCCCCCCC(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CERT1 Q9Y5P4 3/20 0.67
CNR1 P21554 1/20 0.65
FAAH O00519 2/20 0.58
LPAR1 Q92633 2/20 0.57
LPAR3 Q9UBY5 2/20 0.57
EPHX2 P34913 1/20 0.57
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.54
ASAH1 Q13510 1/20 0.54
ACER2 Q5QJU3 1/20 0.54

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
SCHEMBL8383184 1.00 CERT1 (0.67) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL7765661 1.00 CERT1 (0.67) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL7765658 1.00 CERT1 (0.67) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL27623676 0.94 CERT1 (0.59) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL15550810 0.93 CNR1 (0.78) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL15600083 0.93 CNR1 (0.78) CERT1CNR1FAAHLPAR1LPAR3
SCHEMBL9069167 0.89 MME (0.60) CERT1CYP3A4MAPK1
SCHEMBL13502648 0.88 MAPK1 (0.61) CERT1CNR1CYP3A4MAPK1
SCHEMBL9752873 0.88 ITGB3 (0.61) CERT1FAAHLPAR1LPAR3EPHX2
SCHEMBL9752875 0.88 ITGB3 (0.61) CERT1FAAHLPAR1LPAR3EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990170-A POSSESSES A PROFILE OF ACTIVITY WHICH IS SIMILAR TO, THOUGH LESS POTENT THAN .DELTA.9-THC (TETRAHYDROCANNABINOL) WITH A MIMICKING OF THE PSYCHOACTIVE EFFECTS; ANALGESICS; SIDE EFFECT REDUCTION; CARDIOVASCULAR DISORDERS LIFEGROUP S.P.A. (IT) 1999-11-23 US disclosed
EP-0799033-A1 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.p.A. (IT) 1997-10-08 EP disclosed
WO-1996018391-A2 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.P.A. (IT) 1996-06-20 WO disclosed