SCHEMBL17509397

SCHEMBL17509397

[CH2]C(CC)(CC)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL27743750 0.80 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL7603558 0.79 TSHR (0.47) ALDH1A1THRBTSHR
SCHEMBL1494476 0.79 ALDH1A1 (0.44) ALDH1A1THRBTSHRTDP1
SCHEMBL278099 0.79 ALDH1A1 (0.44) ALDH1A1THRBTSHRTDP1
SCHEMBL2181846 0.79 TSHR (0.45) ALDH1A1THRBTSHRTDP1
SCHEMBL128895 0.78 GAA (0.41) ALDH1A1THRBTSHRTDP1
SCHEMBL2234565 0.77 ALDH1A1 (0.42) ALDH1A1THRBTSHRTDP1
SCHEMBL973501 0.77 ALDH1A1 (0.42) ALDH1A1THRBTSHRTDP1
SCHEMBL1108024 0.77 TSHR (0.43) ALDH1A1THRBTSHRTDP1
SCHEMBL347723 0.77 ALDH1A1 (0.42) ALDH1A1THRBTSHRTDP1

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-2016024614-A1 COPOLYMER AND MOLDED ARTICLE 株式会社クラレ 2016-02-18 WO disclosed