SCHEMBL22176120

SCHEMBL22176120

CNCCCCCOc1ccc(C)cc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL4 Q8NA19 1/20 0.62
▸ L3MBTL3 Q96JM7 1/20 0.62
▸ ALDH1A1 P00352 8/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPT P10636 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ HSP90AA1 P07900 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.41

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
SCHEMBL22175862 1.00 L3MBTL4 (0.62) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL22176104 0.99 L3MBTL4 (0.63) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL22175859 0.94 ALDH1A1 (0.65) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL22164229 0.93 ALDH1A1 (0.64) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL24962414 0.92 MAPT (0.64) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL12972414 0.86 MAPT (0.59) L3MBTL1MAPTHTTHSP90AA1NPSR1
SCHEMBL22175877 0.85 MAPT (0.52) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL22175856 0.84 ALDH1A1 (0.49) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL22175848 0.84 L3MBTL4 (0.51) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL22176051 0.84 L3MBTL4 (0.48) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT

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
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 — — WO disclosed
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