SCHEMBL28299477

SCHEMBL28299477

C=Cc1ccc(COCCCCBr)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TEAD3 Q99594 2/20 0.33
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
HRH3 Q9Y5N1 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL317128 0.98 TDP1 (0.38) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL316600 0.91 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL18868387 0.89 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL316695 0.87 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL18832287 0.83 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL1664388 0.83 CA1 (0.40) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL8773211 0.83 TDP1 (0.39) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL10071502 0.83 TDP1 (0.42) ALDH1A1TDP1L3MBTL1TEAD3NAAA
SCHEMBL4903352 0.83 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1TEAD3
SCHEMBL14076881 0.83 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1TEAD3NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106975516-B The preparation method of magnetic rodlike high temperature resistant phase transfer catalyst 西北工业大学 2019-06-04 CN claimed
CN-106975516-B The preparation method of magnetic rodlike high temperature resistant phase transfer catalyst 西北工业大学 2019-06-04 CN disclosed