SCHEMBL8773211

SCHEMBL8773211

[CH2]CCCCCOCc1ccc(C=C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TEAD3 Q99594 1/20 0.33
UGCG Q16739 11/20 0.32
GBA2 Q9HCG7 11/20 0.32
GBA1 P04062 10/20 0.32
LCT P09848 2/20 0.32
SI P14410 2/20 0.32
MGAM O43451 1/20 0.32
NAAA Q02083 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL18868387 0.93 ALDH1A1 (0.44) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL316600 0.91 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL316695 0.87 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1TEAD3NAAA
SCHEMBL10068088 0.85 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL22966049 0.85 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL23727557 0.85 CA1 (0.42) TDP1L3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL4303930 0.85 CA1 (0.42) TDP1L3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL19971152 0.85 CA1 (0.42) TDP1L3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL10071504 0.85 L3MBTL1 (0.44) TDP1L3MBTL1ALDH1A1TEAD3UGCG
SCHEMBL317139 0.85 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TEAD3UGCG

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
EP-0802194-A2 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1997-10-22 EP disclosed