SCHEMBL29544396

SCHEMBL29544396

B(OBOc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.41
KCNA3 P22001 1/20 0.38
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOB P27338 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
SCHEMBL8885 0.88 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
Hydrochloric Acid SCHEMBL693111 0.85 LTA4H (0.47) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL30602838 0.85 LTA4H (0.38) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL1162702 0.78 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4735958 0.78 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4697871 0.78 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL449851 0.78 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL4531186 0.78 CA4 (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL365524 0.78 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL852456 0.78 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A

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-110229311-B Porous organic polymers LNUs containing pyrene structural units and preparation method and application thereof 辽宁大学 2022-03-25 CN claimed
CN-110229311-B Porous organic polymers LNUs containing pyrene structural units and preparation method and application thereof 辽宁大学 2022-03-25 CN disclosed