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SCHEMBL9580885

SCHEMBL9580885

C=CC(=O)OC1CC(C)(C)N(CCOC(=O)C(=C)C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL8849326 0.88 THRB (0.38) THRBTSHRALDH1A1CA1CA2
SCHEMBL8849439 0.88 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL225587 0.80 TSHR (0.34) TSHR
SCHEMBL225056 0.78 TSHR (0.39) THRBTSHR
SCHEMBL224032 0.77 TSHR (0.33) TSHRALDH1A1HSD17B10
SCHEMBL69846 0.76 TSHR (0.38) THRBTSHR
SCHEMBL68167 0.76 TSHR (0.31) TSHR
SCHEMBL10338145 0.75 TSHR (0.40) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL69507 0.75 TSHR (0.33) TSHRALDH1A1HSD17B10
SCHEMBL9329183 0.74 TSHR (0.32) TSHRALDH1A1HSD17B10

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
EP-0293871-B1 LIGHT STABILIZED, STARSHAPED MICROPARTICLES CIBA-GEIGY AG (CH) 1993-03-17 — — EP disclosed
EP-0293871-A2 Light stabilized, starshaped microparticles CIBA-GEIGY AG (CH) 1988-12-07 — — EP disclosed