SCHEMBL26807892

SCHEMBL26807892

CN1C(C)(C)CC(OC(=O)c2ccc(OC(=O)c3cc(I)cc(I)c3O)cc2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CHRNA7 P36544 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
SCHEMBL26807897 0.92 TSHR (0.35) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26812155 0.92 GAA (0.41) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807617 0.91 TSHR (0.40) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807860 0.89 TSHR (0.40) TSHRALDH1A1ESR1GAAKMT2A
SCHEMBL26807585 0.87 TSHR (0.36) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807896 0.84 TSHR (0.37) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807623 0.83 TSHR (0.35) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807893 0.80 TSHR (0.34) TSHRALDH1A1ESR1GAAPTPN2
SCHEMBL26807591 0.78 PTPN2 (0.55) TSHRALDH1A1ESR1HSD17B10GAA
SCHEMBL26807887 0.78 SERPINE1 (0.33) TSHRGAAHTT

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-11829067-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-28 — — US disclosed
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