SCHEMBL2415950

SCHEMBL2415950

C=C(Cc1ccc([N+](=O)[O-])o1)N(CCc1csc(SC(C)(C)C(=O)O)n1)c1ccc(OCCCC)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30

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
SCHEMBL2414109 0.92 STING1 (0.36) SLC2A1
SCHEMBL2413551 0.84 TUBB4A (0.33) PPARAMAPT
SCHEMBL2414212 0.83 THRA (0.32) —
SCHEMBL2418353 0.82 — —
SCHEMBL2411784 0.71 KCNH2 (0.38) PPARAMAPT
SCHEMBL2408631 0.70 PPARD (0.46) PPARAMAPT
SCHEMBL2410358 0.69 PPARA (0.41) PPARAMAPTTP53
SCHEMBL2412706 0.68 SLC22A12 (0.41) PPARAMAPTTP53
SCHEMBL2414345 0.67 PPARA (0.45) PPARA
SCHEMBL2418774 0.67 PPARG (0.49) PPARA

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
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US claimed
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