SCHEMBL19140484

SCHEMBL19140484

CCC(C)(CCc1ccccc1N)Cc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19139736 0.87 FDPS (0.46) FDPSSIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL1995927 0.77 SIGMAR1 (0.39) FDPSSIGMAR1ALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL1259956 0.76 SIGMAR1 (0.38) FDPSSIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL18717444 0.75 CNR2 (0.45) FDPSALDH1A1
SCHEMBL18970327 0.75 CNR2 (0.45) FDPSALDH1A1
SCHEMBL1691505 0.73 FDPS (0.50) FDPSALDH1A1CYP3A4ALOX15CASP1
SCHEMBL29443967 0.71 CYP3A4 (0.43) FDPSSIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL43944 0.71 CYP3A4 (0.43) FDPSSIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL3081448 0.71 FDPS (0.53) FDPSALDH1A1CYP3A4ALOX15CASP1
SCHEMBL5417529 0.70 SIGMAR1 (0.35) FDPSSIGMAR1CYP3A4ALOX15CASP1

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
EP-3192834-A1 THERMOSETTING RESIN COMPOSITION Teijin Limited (JP) 2017-07-19 EP disclosed