SCHEMBL29198543

SCHEMBL29198543

C[CH]CCOCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 3/20 0.45
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TEAD3 Q99594 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
KCNA3 P22001 1/20 0.39
KCNA5 P22460 1/20 0.39
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL4055858 0.93 TSHR (0.56) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL27745868 0.87 L3MBTL1 (0.51) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL26189830 0.84 TSHR (0.67) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL8621469 0.82 TSHR (0.70) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL9011595 0.80 TSHR (0.67) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL25311055 0.79 TSHR (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL26813225 0.79 TSHR (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL30186165 0.79 L3MBTL1 (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL11895703 0.79 TSHR (0.48) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL11895704 0.79 TSHR (0.48) TSHRTDP1L3MBTL1NAAAHRH4

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
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed