SCHEMBL28490551

SCHEMBL28490551

CCCCC(C)C(C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.44
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL31488329 0.94 PPARG (0.46) CTSKPPARGPPARACNR2PRSS1
SCHEMBL10756296 0.91 POLB (0.41) CTSKPPARGPPARAPRSS1CTSG
SCHEMBL28402468 0.79 ALDH1A1 (0.47) PPARGPPARACNR2PRSS1CTSG
SCHEMBL17746054 0.78 PPARG (0.40) PPARGPPARAPRSS1CTSGCTRB1
SCHEMBL5821718 0.77 CYP1A2 (0.43) PPARGPPARA
SCHEMBL3944175 0.74 ALDH1A1 (0.42) CTSKPPARGPPARACNR2ALOX5
SCHEMBL10907465 0.74 PPARG (0.42) PPARGPPARA
SCHEMBL28359090 0.73 PPARG (0.44) PPARGPPARACNR2ALOX5PRSS1
SCHEMBL11552162 0.73 PPARG (0.43) CTSKPPARGPPARACNR2ALOX5
SCHEMBL28496966 0.73 ALDH1A1 (0.46) PPARGPPARACNR2PRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110456087-B Sertraline detection reagent and preparation and use methods thereof 苏州博源医疗科技有限公司 2022-09-20 — — CN disclosed
CN-114685477-A Linezolid derivative, immunogen, anti-linezolid specific antibody, and preparation method and application thereof 苏州博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685409-A Escitalopram derivative, immunogen, anti-escitalopram specific antibody, preparation method and application thereof 苏州博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685342-A Levetiracetam derivative, immunogen, anti-levetiracetam specific antibody, preparation method and application thereof 长沙博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685526-A Topiramate derivative, immunogen, anti-topiramate specific antibody, preparation method and application thereof 长沙博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685527-A Olanzapine derivative, immunogen, anti-olanzapine specific antibody, preparation method and application thereof 苏州博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685470-A Risperidone key group derivative, immunogen, anti-risperidone specific antibody, and preparation method and application thereof 苏州博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114685400-A Aripiprazole key group derivative, immunogen, anti-aripiprazole specific antibody, and preparation method and application thereof 苏州博源医疗科技有限公司 2022-07-01 — — CN disclosed
CN-114436927-A Amisulpride derivative, homogeneous enzyme immunoassay reagent and preparation method 安徽爱索特克医学检验实验室有限公司 2022-05-06 — — CN disclosed
CN-114436987-A Zonisamide derivative, homogeneous enzyme immunoassay reagent and preparation method 安徽爱索特克医学检验实验室有限公司 2022-05-06 — — CN disclosed
CN-111848507-B Isoniazid derivative, homogeneous enzyme immunoassay reagent and preparation method 湖南苏阳医疗科技有限公司 2021-11-02 — — CN disclosed
CN-111875587-B 5-fluorocytosine derivative, preparation method thereof and application thereof in 5-fluorocytosine immunodetection reagent 湖南苏阳医疗科技有限公司 2021-07-13 — — CN disclosed
CN-111875587-A 5-fluorocytosine derivative, preparation method thereof and application thereof in 5-fluorocytosine immunodetection reagent 湖南苏阳医疗科技有限公司 2020-11-03 — — CN disclosed
CN-111848507-A Isoniazid derivative, homogeneous enzyme immunoassay reagent and preparation method 湖南苏阳医疗科技有限公司 2020-10-30 — — CN disclosed
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