SCHEMBL9715083

SCHEMBL9715083

[CH2]C(C)(CCOc1ccccc1)CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.54
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
PPARA Q07869 1/20 0.47
LTA4H P09960 3/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
PKM P14618 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL1754085 0.83 KCNA3 (0.58) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL10264550 0.82 KCNA3 (0.52) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL21414831 0.79 KCNA3 (0.54) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL8095513 0.79 KCNA3 (0.54) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL16048619 0.79 KCNA3 (0.54) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL22710207 0.78 KCNA3 (0.52) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL10202896 0.77 KCNA3 (0.62) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL9130133 0.76 KCNA3 (0.61) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL22147343 0.75 KCNA3 (0.67) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL29446034 0.75 KCNA3 (0.54) KCNA3HTR1BHTR1DTAAR1ALDH1A1

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-0242080-B1 COPOLYMER COMPOSITIONS PARAGON OPTICAL INC (US) 1992-12-16 EP claimed