SCHEMBL3785635

SCHEMBL3785635

C=C(C)C(=O)OC1CC(CC)(CC)NC(CC)(CC)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 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
SCHEMBL5549608 0.83 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL107001 0.79 GAA (0.49) ALDH1A1TSHRGAA
Water SCHEMBL27951717 0.77 GAA (0.47) ALDH1A1TSHRGAA
SCHEMBL26004118 0.77 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL26004115 0.76 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL9008837 0.76 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL24435699 0.74 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL251451 0.73 TSHR (0.37) ALDH1A1THRBTSHRGAA
SCHEMBL24435698 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3978954 0.73 ALDH1A1 (0.37) ALDH1A1TSHR

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
US-8247483-B2 Rotation molded body SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20100152343-A1 ROTATION MOLDED BODY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-17 US disclosed