SCHEMBL5191503

SCHEMBL5191503

Cc1nc(-c2ccc(Cl)cc2)sc1C[C@@H](N)C1CCCN(c2ccccc2C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.52
PPARD Q03181 3/20 0.45
PPARG P37231 1/20 0.45
CHRM4 P08173 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5191506 1.00 PPARA (0.52) PPARAPPARDPPARGCHRM4KDM4E
SCHEMBL5193737 1.00 PPARA (0.52) PPARAPPARDPPARGCHRM4KDM4E
SCHEMBL5193735 1.00 PPARA (0.52) PPARAPPARDPPARGCHRM4KDM4E
SCHEMBL5189420 0.84 PPARA (0.74) PPARAPPARDPPARG
SCHEMBL5189422 0.84 PPARA (0.74) PPARAPPARDPPARG
SCHEMBL5191361 0.84 PPARA (0.74) PPARAPPARDPPARG
SCHEMBL14528288 0.83 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL2069175 0.83 PPARA (0.71) PPARAPPARDPPARGCHRM4KDM4E
SCHEMBL2069539 0.82 PPARA (0.46) PPARAPPARDPPARGCHRM4KDM4E
SCHEMBL2069069 0.82 PPARA (0.46) PPARAPPARDPPARGCHRM4KDM4E

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
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP claimed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed