SCHEMBL8969178

SCHEMBL8969178

CCOC(=O)CC(C=CC(Cl)(Cl)C(F)(F)F)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5683344 0.83 GAA (0.35) MGAMGAASIMGAM2TRPA1
SCHEMBL5683340 0.83 GAA (0.35) MGAMGAASIMGAM2TRPA1
SCHEMBL5748555 0.72 GAA (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL8407050 0.69 GAA (0.38) MGAMGAASIMGAM2TRPA1
SCHEMBL8407051 0.69 GAA (0.38) MGAMGAASIMGAM2TRPA1
SCHEMBL29233778 0.68 GAA (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL5686106 0.68 TRPA1 (0.35) MGAMGAASIMGAM2TRPA1
SCHEMBL5686103 0.68 TRPA1 (0.35) MGAMGAASIMGAM2TRPA1
SCHEMBL974467 0.67 GAA (0.52) MGAMGAASIMGAM2TRPA1
SCHEMBL181945 0.67 GAA (0.52) MGAMGAASIMGAM2TRPA1

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
EP-0700373-A1 PREPARATION OF HALOGENATED ALCOHOLS ZENECA LIMITED (GB) 1996-03-13 EP disclosed
WO-1994027942-A1 PREPARATION OF HALOGENATED ALCOHOLS ZENECA LIMITED (GB) 1994-12-08 WO disclosed