SCHEMBL18856366

SCHEMBL18856366

CCCCCC(OC(=O)OC(C)CC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 2/20 0.39
ABCB1 P08183 1/20 0.37
LMNA P02545 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL18856284 0.95 CA2 (0.38) FAAHCNR1CNR2CA1LMNA
SCHEMBL609475 0.85 CTSK (0.41) FAAHCA1ABCB1LMNATRPV1
SCHEMBL18856281 0.84 LMNA (0.50) FAAHCNR1CNR2CA1ABCB1
SCHEMBL18856345 0.84 LMNA (0.50) FAAHCNR1CNR2CA1ABCB1
SCHEMBL18924867 0.84 FAAH (0.56) FAAHCNR1CNR2CA1LMNA
SCHEMBL18856273 0.84 FAAH (0.56) FAAHCNR1CNR2CA1LMNA
SCHEMBL19018698 0.81 MAPT (0.33) MAPT
SCHEMBL5873220 0.79 FAAH (0.58) FAAHCNR1CNR2CA1LMNA
SCHEMBL18856347 0.78 FAAH (0.43) FAAHCNR1CNR2ABCB1LMNA
SCHEMBL18856274 0.78 FAAH (0.40) FAAHCNR1CNR2CA1ABCB1

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
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed