SCHEMBL8037253

SCHEMBL8037253

C=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)nn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
CYP2D6 P10635 4/20 0.32
CYP19A1 P11511 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
RAB9A P51151 3/20 0.31
MAPT P10636 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
XIAP P98170 1/20 0.31
RARB P10826 3/20 0.31
NPC1 O15118 2/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL8037248 1.00 KDM4E (0.34) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8036492 0.92 L3MBTL1 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8036497 0.92 L3MBTL1 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8050901 0.88 CYP3A4 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8051190 0.88 CYP3A4 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8050905 0.88 CYP3A4 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8051184 0.88 CYP3A4 (0.35) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8051587 0.87 KDM4E (0.36) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8051591 0.87 KDM4E (0.36) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL8036506 0.87 CNR2 (0.34) L3MBTL1RAB9AMAPT

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed