SCHEMBL8047822

SCHEMBL8047822

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3F)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 2/20 0.31
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
MAPT P10636 1/20 0.31
PTPN11 Q06124 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8047825 1.00 KDM4E (0.34) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8051295 0.95 KDM4E (0.36) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8051299 0.95 KDM4E (0.36) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8048905 0.94 KDM4E (0.34) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8048911 0.94 KDM4E (0.34) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8054393 0.94
SCHEMBL8054399 0.94
SCHEMBL8046973 0.92 KDM4E (0.34) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8046978 0.92 KDM4E (0.34) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8054664 0.92 RARB (0.33) RAB9APTPN11NPC1

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 4 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-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US 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