SCHEMBL10339296

SCHEMBL10339296

CC[C@@H](Cl)CC(C)CCCO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10338791 1.00 TSHR (0.39) TSHRALDH1A1MAPK1TDP1
SCHEMBL10339297 1.00 TSHR (0.39) TSHRALDH1A1MAPK1TDP1
SCHEMBL10673887 0.85 TSHR (0.39) TSHRALDH1A1
SCHEMBL1659051 0.84 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL21151943 0.84 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL31365589 0.80 TRPA1 (0.31)
SCHEMBL1658900 0.79 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL31193600 0.79 TRPA1 (0.32)
SCHEMBL25416195 0.79 TRPA1 (0.43) TSHRALDH1A1
SCHEMBL1741973 0.79

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-2191241-A None JP disclosed
JP-H02191241-A CHLORINE-CONTAINING OPTICALLY ACTIVE BIPHENYL COMPOUND ADEKA ARGUS CHEM CO LTD 1990-07-27 JP disclosed