SCHEMBL9550648

SCHEMBL9550648

CCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](C)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
FAAH O00519 5/20 0.46
LMNA P02545 2/20 0.43
ACE2 Q9BYF1 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CA1 P00915 1/20 0.41
PRKCA P17252 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.40
GLS2 Q9UI32 1/20 0.40

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
SCHEMBL30870109 0.98 TRPV1 (0.51) TRPV1FAAHLMNAACE2CNR1
SCHEMBL9805289 0.87 TRPV1 (0.56) TRPV1FAAHLMNAACE2CNR1
SCHEMBL10793127 0.84 TRPV1 (0.43) TRPV1FAAHLMNAMAPT
SCHEMBL10793131 0.84 TRPV1 (0.43) TRPV1FAAHLMNAMAPT
SCHEMBL10793139 0.84 TRPV1 (0.43) TRPV1FAAHLMNAMAPT
SCHEMBL14396088 0.84 TRPV1 (0.53) TRPV1FAAHLMNAACE2CNR1
SCHEMBL18595115 0.83 FAAH (0.47) TRPV1FAAHLMNAACE2CNR1
SCHEMBL27273674 0.82 TRPV1 (0.42) TRPV1FAAHLMNAACE2CNR1
Hydrochloric Acid SCHEMBL5274948 0.82 TRPV1 (0.51) TRPV1FAAHLMNAACE2CNR1
SCHEMBL18856317 0.81 FAAH (0.46) TRPV1FAAHLMNAACE2CNR1

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
JP-5201925-A None JP disclosed
JP-H05201925-A SEPARATION USING ORGANIC ACID AND NOVEL ORGANIC ACID PHILIP MORRIS PROD INC 1993-08-10 JP disclosed