SCHEMBL3947804

SCHEMBL3947804

[CH2]CC(O)CCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
KCNA3 P22001 1/20 0.50
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
PKM P14618 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL1139528 1.00 ALDH1A1 (0.50) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL1138904 1.00 ALDH1A1 (0.50) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL9763095 0.82 KCNA3 (0.58) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL14445477 0.82 ALDH1A1 (0.57) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL12980169 0.82 ALDH1A1 (0.57) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL4261691 0.81 MEN1 (0.47) RECQLLMNAPPARGPPARATDP1
SCHEMBL11253522 0.81 CHRNB2 (0.52) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL2108370 0.80 THRB (0.46) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL749890 0.80 KCNA3 (0.54) ALDH1A1RECQLKCNA3LMNATAAR1
SCHEMBL11108265 0.80 LMNA (0.59) RECQLLMNAL3MBTL1ADRB2ADRB1

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-1275378-B1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KK (JP) 2009-04-15 EP disclosed