SCHEMBL20156431

SCHEMBL20156431

C=C(OC)c1cc(C)c(C2CCC2)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FASN P49327 4/20 0.31
PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL18432260 0.84 PDK2 (0.37) HTR2APTGDR2PTGDRNPC1ALDH1A1
SCHEMBL20156420 0.83 JAK2 (0.31)
SCHEMBL18432496 0.78 PDK2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL18432463 0.73 MAPT (0.42)
SCHEMBL10174527 0.72 PTGDR2 (0.41) HTR2APTGDR2PTGDRALDH1A1
SCHEMBL19559130 0.72 MAPT (0.34) HTR2APTGDR2PTGDRALDH1A1SMN1; SMN2
SCHEMBL18432288 0.72 PDK2 (0.40) ALDH1A1FASN
SCHEMBL10174627 0.70 FASN (0.45) FASN
SCHEMBL19113325 0.70 FASN (0.33) HTR2APTGDR2FASN
SCHEMBL18869770 0.69 NOTUM (0.34) HTR2A

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed