SCHEMBL29639022

SCHEMBL29639022

NC(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8893153 0.83 TDP1 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL8894837 0.83 TDP1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL131333 0.82 TDP1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL130597 0.80 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL19729045 0.80 IDO1 (0.42)
SCHEMBL9061417 0.77 PTGS1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL13169323 0.77 TDP1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL708540 0.76 MGLL (0.38)
SCHEMBL13990310 0.76 MGLL (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL9843341 0.76 MEN1 (0.39) SLC6A2SLC6A4SLC6A3

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-115989152-A Pneumatic tire 住友橡胶工业株式会社 2023-04-18 CN disclosed
CN-110198978-B Rubber composition for tread and pneumatic tire 住友橡胶工业株式会社 2022-05-06 CN disclosed