SCHEMBL241646

SCHEMBL241646

C=C(C)C(=O)OCCC1CC(C(F)(F)F)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL241652 0.89 ALDH1A1 (0.42) ALDH1A1THRBTSHR
SCHEMBL247207 0.85 ALDH1A1 (0.58) ALDH1A1THRBTSHR
SCHEMBL245847 0.81 ALDH1A1 (0.49) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL27903259 0.80 ALDH1A1 (0.47) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL352927 0.76 ALDH1A1 (0.68) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL20505422 0.76 ALDH1A1 (0.68) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL244923 0.73 ALDH1A1 (0.55) ALDH1A1THRBTSHR
SCHEMBL247751 0.73 ALDH1A1 (0.54) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL243587 0.72 ALDH1A1 (0.46) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL245314 0.72 ALDH1A1 (0.46) ALDH1A1THRBTSHRPOLBAPEX1

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-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed