SCHEMBL29017381

SCHEMBL29017381

[Ti].c1ccc(OOOc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.45
TAAR1 Q96RJ0 2/20 0.42
KCNA3 P22001 1/20 0.41
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SRC P12931 1/20 0.36
SCN4A P35499 2/20 0.36
PLA2G2A P14555 1/20 0.36
AOC3 Q16853 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL158272 0.97 LTA4H (0.53) LTA4HTSHRCA4TAAR1KCNA3
Bromide SCHEMBL15571364 0.93 LTA4H (0.50) LTA4HTSHRCA4TAAR1KCNA3
Water SCHEMBL27482527 0.93 LTA4H (0.50) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL5492420 0.90 LTA4H (0.53) LTA4HTSHRCA4TAAR1KCNA3
Biphenyl SCHEMBL7925417 0.88 ALDH1A1 (0.53) LTA4HTSHRCA4TAAR1KCNA3
Ethylene Glycol SCHEMBL29157250 0.83 ALDH1A1 (0.52) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL7131367 0.83 LTA4H (0.41) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL14905 0.82 LTA4H (0.60) LTA4HTSHRCA4TAAR1KCNA3
Acetic Acid SCHEMBL11437243 0.81 ALOX15 (0.43) TSHRCA4ALDH1A1L3MBTL1
Sulfuric Acid SCHEMBL16652192 0.81 CA1 (0.44) LTA4HTSHRCA4CA5ACA5B

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-110515266-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed
CN-110515272-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed