SCHEMBL26809605

SCHEMBL26809605

O=C(OCCN(O)CCOC(=O)c1ccc(I)cc1)c1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.50
▸ TSHR P16473 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ MAOA P21397 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SCN1A P35498 3/20 0.45
▸ SCN2A Q99250 3/20 0.45
▸ SCN3A Q9NY46 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL26809424 0.94 PHLPP2 (0.45) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL26809402 0.90 TSHR (0.54) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL26807545 0.84 PHLPP2 (0.57) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL34468111 0.84 PHLPP2 (0.71) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL29083864 0.81 ESR1 (0.46) PHLPP2TSHRCYP2D6LMNAALDH1A1
SCHEMBL21705613 0.81 CYP2D6 (0.51) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL21705606 0.81 TSHR (0.72) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL26807513 0.80 TSHR (0.54) PHLPP2TSHRCYP2D6MAOAHRH3
SCHEMBL26809610 0.80 LMNA (0.49) PHLPP2TSHRLMNAALDH1A1TDP1
SCHEMBL26807523 0.79 PHLPP2 (0.51) PHLPP2TSHRCYP2D6MAOAHRH3

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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