SCHEMBL11115136

SCHEMBL11115136

C=CC=CC=CCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
THRB P10828 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1B P28222 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14409190 0.81 AOC3 (0.53) KCNA3THRBTAAR1ALDH1A1RECQL
SCHEMBL382499 0.79 L3MBTL1 (0.44) THRBALDH1A1RECQLPKMPARP10
Triphenylmethanol SCHEMBL6751886 0.77 ALDH1A1 (0.41) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL7458949 0.77 ALDH1A1 (0.41) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL6707327 0.77 ALDH1A1 (0.41) THRBALDH1A1RECQLKDM4EMEN1
Allylanisole SCHEMBL4737421 0.77 KCNA3 (0.58) KCNA3THRBTAAR1ALDH1A1RECQL
SCHEMBL7931510 0.75 ALDH1A1 (0.33) THRBALDH1A1
SCHEMBL10607106 0.73 AOC3 (0.57) KCNA3THRBTAAR1ALDH1A1RECQL
SCHEMBL5164529 0.73 KCNA3 (0.54) KCNA3THRBTAAR1ALDH1A1RECQL
SCHEMBL11402844 0.73 KCNA3 (0.54) KCNA3THRBTAAR1ALDH1A1RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050445-B1 TELOMERIZATION OF BUTADIENE AND CARBON DIOXIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-30 EP disclosed
US-4393224-A Telomerization of butadiene and carbon dioxide IMPERIAL CHEMICAL INDUSTRIES PLC. (GB) 1983-07-12 US disclosed
EP-0050445-A1 Telomerization of butadiene and carbon dioxide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-04-28 EP disclosed