SCHEMBL26807893

SCHEMBL26807893

CN1C(C)(C)CC(OC(=O)c2ccc(OC(=O)c3cc(I)cc(I)c3O)c3ccccc23)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ HTR3E A5X5Y0 6/20 0.33
▸ HTR3B O95264 6/20 0.33
▸ HTR3A P46098 6/20 0.33
▸ HTR3D Q70Z44 6/20 0.33
▸ HTR3C Q8WXA8 6/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ ADRA2B P18089 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
SCHEMBL26812150 0.93 GAA (0.40) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807619 0.92 TSHR (0.35) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807585 0.85 TSHR (0.36) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807892 0.80 TSHR (0.39) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807860 0.79 TSHR (0.40) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807897 0.77 TSHR (0.35) TSHRHTR3ALMNAHTTKMT2A
SCHEMBL26807887 0.77 SERPINE1 (0.33) TSHRHTTGAA
SCHEMBL26427858 0.75 TSHR (0.37) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL26807851 0.73 CYP2D6 (0.31) LMNACYP2D6
SCHEMBL26807587 0.73 PTPN2 (0.57) TSHRHTR3EHTR3BHTR3AHTR3D

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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