SCHEMBL13879749

SCHEMBL13879749

CCCC(C)COc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ACHE P22303 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 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
SCHEMBL17138149 0.91 HIF1A (0.49) ADRB2ADRB1TSHR
SCHEMBL10154613 0.86 ADRB2 (0.56) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL9123406 0.83 ADRB2 (0.62) ADRB2ADRB1KMT2AMEN1SMN1; SMN2
SCHEMBL27330236 0.82 LMNA (0.57) LMNA
SCHEMBL3723068 0.82 ADRB2 (0.59) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL17277599 0.81 SCN4A (0.59) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL20082442 0.81 SCN4A (0.59) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL15958920 0.81 ADRB2 (0.59) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL6281442 0.80 HIF1A (0.40) ADRB2ADRB1SMN1; SMN2TSHRALDH1A1
SCHEMBL2561288 0.80 ENPP2 (0.50) ADRB2ADRB1

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-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed