SCHEMBL29065618

SCHEMBL29065618

CC(C)(C)[Ti](Br)(Br)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
LTA4H P09960 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.34
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNA3 P22001 1/20 0.31
MAOB P27338 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CYP2D6 P10635 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
SCHEMBL7593738 0.75 LTA4H (0.47) CA4LTA4HTSHRALDH1A1ALOX15
SCHEMBL29065616 0.73 CA4 (0.39) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL7109882 0.72 LTA4H (0.45) CA4LTA4HTSHRALDH1A1ALOX15
SCHEMBL727798 0.72 LTA4H (0.45) CA4LTA4HTSHRALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6911122 0.68 CA4 (0.34) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL8855723 0.67 CA4 (0.48) CA4LTA4HTSHRALDH1A1KCNA3
SCHEMBL11376071 0.67 CA4 (0.48) CA4LTA4HTSHRALDH1A1KCNA3
SCHEMBL8855708 0.67 CA4 (0.48) CA4LTA4HTSHRALDH1A1KCNA3
SCHEMBL193709 0.66 LTA4H (0.50) CA4LTA4HTSHRALDH1A1ALOX15
SCHEMBL10592534 0.65 CA4 (0.46) CA4LTA4HTSHRMAPK1RIPK1

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-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 CN disclosed