SCHEMBL6678081

SCHEMBL6678081

Cc1ccc(OCCCC(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.79
▸ CYP2C9 P11712 2/20 0.79
▸ TSHR P16473 2/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.79
▸ CYP2C8 P10632 2/20 0.79
▸ TTR P02766 1/20 0.79
▸ CYP1A2 P05177 1/20 0.79
▸ CHRM1 P11229 1/20 0.79
▸ ADRA1A P35348 1/20 0.79
▸ PPARG P37231 1/20 0.79
▸ HTR2B P41595 1/20 0.79
▸ SLCO1B3 Q9NPD5 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ CISD1 Q9NZ45 1/20 0.79
▸ SLCO1B1 Q9Y6L6 1/20 0.79
▸ GUCY1A1 Q02108 1/20 0.53
▸ GUCY1B1 Q02153 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30504804 1.00 PPARA (0.79) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
SCHEMBL9416380 0.96 PPARA (0.72) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL20770039 0.88 PPARA (1.00) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL1880616 0.88 PPARA (1.00) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL4813 0.88 PPARA (1.00) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL29398115 0.88 PPARA (1.00) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL10542601 0.87 PPARA (0.97) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
SCHEMBL11094581 0.87 PPARA (0.64) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL21052128 0.87 PPARA (0.97) PPARACYP2C9TSHRSMN1; SMN2CYP2C8
Gemfibrozil SCHEMBL457931 0.87 PPARA (0.97) PPARACYP2C9TSHRSMN1; SMN2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332995-A Nucleotide derivative, pharmaceutical composition and application thereof 南京知和医药科技有限公司 2023-06-27 — — CN disclosed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 — — WO disclosed
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 — — WO disclosed
US-RE37770-E1 SUCH AS LINOLEIC ACID, OLEIC ACID, 5,8,11,14-EICOSATETRAYNOIC ACID, 4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIOACETIC ACID, CLOFIBRATE, AND GEMFIBROZIL; USEFUL FOR TREATING DISORDERS OF EPIDERMAL DIFFERENTIATION AND PROLIFERATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-06-25 — — US disclosed
US-6187814-B1 BY TOPICALLY AN FARNESOID X-ACTIVATED RECEPTOR (FXR) ACTIVATOR SELECTED FROM FARNESAL, ALKYL FARNESYL ETHER, ALKYL FARNESOATE, AND 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID, ALKYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-13 — — US disclosed
US-6184215-B1 TOPICALLY APPLYING TO SKIN A HYDROXYCHOLESTEROL TO ACTIVATE LIVER-BASED X-ACTIVATED RECEPTOR ALPHA (LXRA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-06 — — US disclosed
US-6071955-A TREATING TERRESTRIAL MAMMALIAN SUBJECT SUFFERING FROM A CONDITIONS OF ACNE AND ACNEIFORM CONDITIONS BY ADMINISTERING 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID METHYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-06 — — US disclosed
US-6060515-A TOPICALLY APPLYING TO MAMMALIAN SKIN OR MUCOUS MEMBRANE A BARRIER DEVELOPMENT ENHANCING AMOUNT OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 — — US disclosed
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