SCHEMBL26807513

SCHEMBL26807513

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ MAOA P21397 2/20 0.54
▸ HRH3 Q9Y5N1 2/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.53
▸ BLM P54132 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ LMNA P02545 7/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SCN1A P35498 3/20 0.51
▸ SCN2A Q99250 3/20 0.51
▸ SCN3A Q9NY46 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP1A2 P05177 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ DRD3 P35462 2/20 0.47

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
SCHEMBL26807545 0.92 PHLPP2 (0.57) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL26807523 0.86 PHLPP2 (0.51) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL21705606 0.86 TSHR (0.72) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL34468111 0.85 PHLPP2 (0.71) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL21499736 0.84 MAOA (0.75) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL26809402 0.84 TSHR (0.54) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL26807511 0.82 LMNA (0.54) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL21705598 0.81 TSHR (0.61) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL26809605 0.80 PHLPP2 (0.50) TSHRCYP2D6MAOAHRH3HTR3A
SCHEMBL10488203 0.80 ALDH1A1 (0.70) TSHRCYP2D6LMNAALDH1A1SMN1; SMN2

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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