SCHEMBL6560429

SCHEMBL6560429

CC(C)OCCOCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
PKM P14618 2/20 0.46
HTR1B P28222 2/20 0.46
LMNA P02545 1/20 0.46
HTR1D P28221 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL6564405 0.94 KCNA3 (0.56) KCNA3PKMHTR1BLMNAHTR1D
SCHEMBL11692748 0.87 LTA4H (0.61) KCNA3PKMLTA4H
SCHEMBL14064917 0.84 KCNA3 (0.45) KCNA3PKMHTR1BLMNAHTR1D
SCHEMBL14156843 0.84 KCNA3 (0.45) KCNA3PKMHTR1BLMNAHTR1D
SCHEMBL14156844 0.84 KCNA3 (0.45) KCNA3PKMHTR1BLMNAHTR1D
SCHEMBL5067163 0.83 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DALDH1A1
SCHEMBL2481801 0.83 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DALDH1A1
SCHEMBL148066 0.83 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DALDH1A1
SCHEMBL10452423 0.83 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DALDH1A1
SCHEMBL11087417 0.83 KCNA3 (0.70) KCNA3PKMHTR1BHTR1DALDH1A1

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-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed