SCHEMBL29036620

SCHEMBL29036620

CCCCCCCCCc1ccc(C)c(OC(=O)CN(C)C)c1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.52
RARB P10826 2/20 0.45
THRA P10827 4/20 0.44
THRB P10828 4/20 0.44
KAT8 Q9H7Z6 2/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12474283 0.86 KAT8 (0.53) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL15547399 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL15548211 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL15549321 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL15546557 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL15548455 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL15547878 0.75 ALOX15 (0.61) PPARAPPARGKAT8ALOX15
SCHEMBL3030328 0.74 CNR2 (0.55) ALOX15CYP3A4
SCHEMBL15547999 0.74 ALOX15 (0.72) PPARAPPARGKAT8ALOX15CYP1A2
SCHEMBL15559065 0.74 ALOX15 (0.72) PPARAPPARGKAT8ALOX15CYP1A2

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
CN-116409871-A Microorganism carrier and wastewater treatment device 财团法人工业技术研究院 2023-07-11 CN disclosed