SCHEMBL16130809

SCHEMBL16130809

CCCC/C=C/CCOC(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 2/20 0.40
LPAR1 Q92633 1/20 0.40
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 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
SCHEMBL26740644 0.85
SCHEMBL16902067 0.83 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR3LPAR2
SCHEMBL11856338 0.83 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR3LPAR2
SCHEMBL18134817 0.83 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR3LPAR2
SCHEMBL11856333 0.83 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR3LPAR2
SCHEMBL16902064 0.81 LPAR2 (0.34) ALDH1A1LPAR3LPAR2LPAR1
SCHEMBL16902072 0.81 LPAR2 (0.34) ALDH1A1LPAR3LPAR2LPAR1
SCHEMBL16130292 0.80 LMNA (0.32) ALDH1A1CNR1CNR2
SCHEMBL16130397 0.80 LMNA (0.32) ALDH1A1CNR1CNR2
SCHEMBL28734332 0.79 LPAR2 (0.43) ALDH1A1CNR1CNR2LPAR3LPAR2

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-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed