SCHEMBL26807585

SCHEMBL26807585

CN1C(C)(C)CC(OC(=O)c2cc(I)cc(I)c2O)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ TTR P02766 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PTPRF P10586 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ HTR3E A5X5Y0 2/20 0.31
▸ HTR3B O95264 2/20 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
SCHEMBL26807887 0.90 SERPINE1 (0.33) TSHRGAAHTTATMSERPINE1
SCHEMBL26427858 0.88 TSHR (0.37) TSHRGAAHTTCYP1A2ALDH1A1
SCHEMBL26807892 0.87 TSHR (0.39) TSHRGAAHTTALDH1A1KMT2A
SCHEMBL26807851 0.86 CYP2D6 (0.31) LMNACYP2D6
SCHEMBL26807771 0.85 TTR (0.34) TTR
SCHEMBL26807893 0.85 TSHR (0.34) TSHRGAAHTTCYP1A2ALDH1A1
SCHEMBL26807860 0.84 TSHR (0.40) TSHRGAAHTTALDH1A1KMT2A
SCHEMBL26807889 0.84 — —
SCHEMBL26807853 0.84 — —
SCHEMBL26807897 0.84 TSHR (0.35) TSHRGAAHTTALDH1A1KMT2A

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