SCHEMBL8965613

SCHEMBL8965613

C=C(C)C(=O)OC(C)C(O)C(C)OC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8965826 0.91 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL28451714 0.91 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL27408287 0.91 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL4734217 0.87 TSHR (0.50) TSHRALDH1A1THRBTDP1
SCHEMBL5177443 0.87 TSHR (0.50) TSHRALDH1A1THRBTDP1
SCHEMBL1354723 0.86 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL5179633 0.86 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL484971 0.86 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL27840857 0.84 TSHR (0.41) TSHRALDH1A1THRBTDP1
SCHEMBL8967389 0.84 TSHR (0.43) TSHRALDH1A1THRBTDP1

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed