SCHEMBL29128505

SCHEMBL29128505

O=c1[nH]cc(CSCC(F)Oc2ccccc2F)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ DAO P14920 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL29128574 0.85 PPARG (0.33) PPARGPPARACYP1A2CYP3A4CYP2D6
SCHEMBL29128356 0.80 DAO (0.40) DAOALDH1A1LMNAHPGDTDP1
SCHEMBL29128470 0.79 PPARG (0.38) PPARGPPARADAOALDH1A1CYP1A2
SCHEMBL29128480 0.77 USP2 (0.31) ALDH1A1USP2PABPC1TDP1L3MBTL1
SCHEMBL29128341 0.73 GRM4 (0.31) LMNAUSP2PABPC1TDP1L3MBTL1
SCHEMBL29128290 0.72 USP2 (0.33) ALDH1A1CYP1A2USP2PABPC1TDP1
SCHEMBL29128253 0.69 DPYD (0.34) PPARGPPARADAOALDH1A1CYP1A2
SCHEMBL29128504 0.68 SLC6A4 (0.36) DAOALDH1A1SLC6A4LMNAUSP2
SCHEMBL29128207 0.67 RAB9A (0.45) DAOALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29128529 0.66 DAO (0.50) DAOALDH1A1CYP1A2CYP3A4CYP2D6

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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