SCHEMBL18595115

SCHEMBL18595115

CCCCCCC(CCCCC)C(C)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
LMNA P02545 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
CA1 P00915 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
PRKCA P17252 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL18856317 0.98 FAAH (0.46) FAAHLMNATRPV1ACE2CNR1
SCHEMBL9550648 0.83 TRPV1 (0.54) FAAHLMNATRPV1ACE2CNR1
SCHEMBL18595203 0.83 FAAH (0.46) FAAHLMNAACE2CNR1CNR2
SCHEMBL19333632 0.81 LMNA (0.50) FAAHLMNAACE2CNR1CNR2
SCHEMBL18558918 0.81 ZDHHC7 (0.47) FAAHLMNAACE2CNR1CNR2
SCHEMBL17995985 0.81 LMNA (0.65) LMNAPRKCAMAPT
SCHEMBL18595316 0.81 LMNA (0.50) FAAHLMNAACE2CNR1CNR2
SCHEMBL30870109 0.81 TRPV1 (0.51) FAAHLMNATRPV1ACE2CNR1
SCHEMBL18595264 0.80 FAAH (0.44) FAAHLMNAACE2CNR1CNR2
SCHEMBL20260562 0.80 FAAH (0.41) FAAHLMNAACE2CNR1CNR2

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed