SCHEMBL7203810

SCHEMBL7203810

CC(CCCCCCCC=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
LTA4H P09960 1/20 0.48
BLM P54132 1/20 0.48
GABRR1 P24046 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.43
TBXAS1 P24557 2/20 0.42
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL4653508 1.00 ACE2 (0.50) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL7897955 1.00 ACE2 (0.50) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL3693315 1.00 ACE2 (0.50) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL9333340 0.98 LTA4H (0.50) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL5076969 0.91 BLM (0.52) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL18791193 0.91 BLM (0.52) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL414072 0.85 ACE2 (0.52) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL5977939 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL20612872 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL31073666 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106397-A1 A PROCESS FOR PREPARING LONG CHAIN SATURATED OR UNSATURATED OXYGENATED COMPOUNDS MEDESTEA RESEARCH & PRODUCTION S.R.L. (IT) 2003-12-24 WO disclosed