SCHEMBL22472263

SCHEMBL22472263

CCCCCCCCCCCCCCCCCCOOC(=O)C(C)(C)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
S1PR4 O95977 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 4/20 0.47
CETP P11597 4/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL19007780 0.81 TSHR (0.50) S1PR1S1PR4S1PR3S1PR5TSHR
SCHEMBL28638406 0.78 TDP1 (0.54) CETPTSHRALDH1A1LMNAHPGD
SCHEMBL27996146 0.77 CYP4F2 (0.46) TSHRALDH1A1
SCHEMBL29162229 0.76 MAPT (0.51) HPGD
SCHEMBL16672871 0.75 CTSK (0.48) PPARGTSHRALDH1A1LMNAHPGD
SCHEMBL22122650 0.74 AKR1B10 (0.50) TSHRALDH1A1LMNAHPGD
SCHEMBL15419571 0.74 MMP8 (0.54) PPARGPPARAALDH1A1
SCHEMBL3971720 0.74 HDAC3 (0.50) ALDH1A1
SCHEMBL4941852 0.73 CYP4F2 (0.41) PPARATSHRALDH1A1HPGD
SCHEMBL6260139 0.73 S1PR1 (0.45) S1PR1S1PR4S1PR3S1PR5CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888136-A Method for preparing oligonucleotides 味之素株式会社 2023-10-13 CN disclosed
CN-116063365-A Method for preparing oligonucleotide and nucleoside, nucleotide or oligonucleotide 味之素株式会社 2023-05-05 CN disclosed
CN-108473526-B Process for producing oligonucleotide and nucleoside, nucleotide or oligonucleotide 味之素株式会社 2022-08-09 CN disclosed
WO-2020196890-A1 METHOD FOR PRODUCING OLIGONUCLEOTIDE HAVING PHOSPHOROTHIOATE SITE 味の素株式会社 2020-10-01 WO disclosed