SCHEMBL13652822

SCHEMBL13652822

CCOc1ccc2c(c1)n1n(-c3cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)c4ccccc4)c3O)n21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL2612597 0.86 SHBG (0.36) ALDH1A1CYP3A4
SCHEMBL13652825 0.84 SMN1; SMN2 (0.35) ACSS2ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL13652815 0.79 CYP3A4 (0.34) ALDH1A1SMN1; SMN2CYP3A4KDM4ENPC1
SCHEMBL13652841 0.78 NPY2R (0.36) NPSR1
SCHEMBL13652834 0.78 MDH1 (0.30) —
SCHEMBL13652823 0.78 ESR1 (0.36) ALDH1A1CYP3A4
SCHEMBL13652839 0.77 CYP3A4 (0.34) ALDH1A1CYP3A4
SCHEMBL13652835 0.76 ACSS2 (0.35) ACSS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13652837 0.75 — —
SCHEMBL2612593 0.74 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2CYP3A4MAPT

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-20090246416-A1 OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 — — US disclosed
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