SCHEMBL11264489

SCHEMBL11264489

CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccncc3)c3n(c2c1)CCCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
PPARA Q07869 3/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.36
FBP1 P09467 7/20 0.35
TP53 P04637 2/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ACHE P22303 1/20 0.34
CNR1 P21554 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11255435 0.93 GAA (0.46) GAAALDH1A1ALOX15PPARAABCB11
SCHEMBL11267432 0.92 GAA (0.45) GAAALDH1A1ALOX15PPARAABCB11
SCHEMBL11261802 0.88 TBXAS1 (0.38) GAAALDH1A1ALOX15PPARACYP1A2
SCHEMBL11266222 0.83 GAA (0.48) GAAALDH1A1ALOX15PPARAABCB11
SCHEMBL11261642 0.81 ALDH1A1 (0.38) GAAALDH1A1ALOX15PPARAABCB11
SCHEMBL11260420 0.80 GAA (0.39) GAAALDH1A1ALOX15PPARACYP1A2
SCHEMBL11259633 0.80 GAA (0.44) GAAALDH1A1ALOX15PPARAABCB11
SCHEMBL11269896 0.79 GAA (0.38) GAAALDH1A1ALOX15PPARACYP1A2
SCHEMBL11269891 0.79 HTR6 (0.38) GAAALDH1A1ALOX15CYP1A2CYP3A4
SCHEMBL11262412 0.77 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed