SCHEMBL13624036

SCHEMBL13624036

CC1=CCCC(OCCOc2ccccc2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.42
PKM P14618 2/20 0.40
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
RECQL P46063 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL28317930 0.71 KCNA3 (0.47) KCNA3PKMHTR1BHTR1DRECQL
Ethylene SCHEMBL29058163 0.70 KCNA3 (0.74) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL27962 0.70 KCNA3 (0.82) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL1374376 0.67 DRD2 (0.69) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL7104886 0.64 KCNA3 (0.64) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL213738 0.64 KCNA3 (0.64) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL5292005 0.64 KCNA3 (0.56) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL11087417 0.64 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL5067163 0.64 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DRECQL
SCHEMBL2481801 0.64 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DRECQL

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
WO-2009142870-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed