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Sugi Predict / Compounds / SCHEMBL9268131

SCHEMBL9268131

SCHEMBL9268131

CON1C(C)(C)CC(OC(=O)/N=N/C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL9268133 1.00 TSHR (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL5573455 0.87 KMT2A (0.55) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13487849 0.85 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9271376 0.83 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9271370 0.83 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL14981846 0.81 TSHR (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9270239 0.80 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9270235 0.80 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL17281376 0.80 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL7476147 0.80 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10

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-5380828-A Stabilization by being grafted onto a polymer CIBA-GEIGY CORPORATION (US) 1995-01-10 — — US claimed