SCHEMBL31297136

SCHEMBL31297136

O=C(O)CCCCCOc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.71
PPARA Q07869 4/20 0.63
PTPN7 P35236 1/20 0.63
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
ALB P02768 1/20 0.57
CYSLTR2 Q9NS75 2/20 0.57
CYSLTR1 Q9Y271 2/20 0.57
ACSL1 P33121 2/20 0.56
ACSL6 Q9UKU0 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL10727767 1.00 HDAC1 (0.71) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL20886119 1.00 HDAC1 (0.71) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL8355645 1.00 HDAC1 (0.71) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL20910939 1.00 HDAC1 (0.71) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL10722424 0.98 HDAC1 (0.68) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL20897873 0.97 HDAC1 (0.68) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL20897621 0.94 PPARA (0.64) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL10618679 0.94 PPARA (0.63) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL20886118 0.93 PTPN7 (0.67) HDAC1PPARAPTPN7HDAC3HDAC4
SCHEMBL30539402 0.93 PTPN7 (0.67) HDAC1PPARAPTPN7HDAC3HDAC4

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-118878435-A Method for synthesizing alpha, beta-unsaturated secondary amide by dehydrogenation 广州市名花香料有限公司 2024-11-01 CN disclosed