SCHEMBL6555976

SCHEMBL6555976

CCOCCOCCOCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LTA4H P09960 3/20 0.53
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA7 P36544 2/20 0.52
CHRNA4 P43681 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30693772 1.00 KCNA3 (0.56) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL6558495 1.00 KCNA3 (0.56) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL11137717 1.00 KCNA3 (0.56) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL215246 0.98 KCNA3 (0.58) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
Water SCHEMBL16581630 0.96 KCNA3 (0.56) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL8683854 0.92 KCNA3 (0.52) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL28190642 0.91 LTA4H (0.61) KCNA3L3MBTL1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL11697233 0.90 LTA4H (0.69) KCNA3L3MBTL1LTA4HSMN1; SMN2PKM
SCHEMBL12850187 0.89 TSHR (0.52) KCNA3L3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL9150174 0.89 KDM4E (0.56) L3MBTL1SMN1; SMN2ALDH1A1RECQLTSHR

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed
EP-1391487-A2 Ink set, ink cartridge, ink jet printer and recording method FUJI PHOTO FILM CO., LTD. (JP) 2004-02-25 EP disclosed