SCHEMBL5487834

SCHEMBL5487834

Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCCN(c2ccccc2CC(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.60
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
PPARD Q03181 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CHRM4 P08173 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 2/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL3892378 0.94 PPARA (0.68) PPARAHPGDNPC1PPARDSMN1; SMN2
SCHEMBL3888972 0.94 PPARA (0.68) PPARAHPGDNPC1PPARDSMN1; SMN2
SCHEMBL3888967 0.94 PPARA (0.68) PPARAHPGDNPC1PPARDSMN1; SMN2
SCHEMBL3905841 0.93 PPARA (0.57) PPARAHPGDNPC1PPARDSMN1; SMN2
SCHEMBL3892372 0.86 PPARA (0.65) PPARAPPARDSMN1; SMN2CHRM4GAA
SCHEMBL3896907 0.85 CHRM4 (0.53) PPARANPC1PPARDCHRM4ALDH1A1
SCHEMBL2069036 0.83 PPARA (0.73) PPARANPC1PPARDSMN1; SMN2CHRM4
SCHEMBL2069034 0.83 PPARA (0.73) PPARANPC1PPARDSMN1; SMN2CHRM4
SCHEMBL2070819 0.83 PPARA (0.73) PPARANPC1PPARDSMN1; SMN2CHRM4
SCHEMBL3890236 0.82 PPARA (0.63) PPARAPPARDSMN1; SMN2CHRM4GAA

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
EP-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 EP disclosed