SCHEMBL8036690

SCHEMBL8036690

C=CCOc1ccc2nc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
APP P05067 9/20 0.38
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
HTT P42858 1/20 0.31
CASR P41180 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 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
SCHEMBL8036695 1.00 KDM4E (0.40) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8051340 0.95 KDM4E (0.42) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8051332 0.95 KDM4E (0.42) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8047378 0.90 MAPT (0.37) KDM4ENPC1MAPTRAB9ASRC
SCHEMBL8047383 0.90 MAPT (0.37) KDM4ENPC1MAPTRAB9ASRC
SCHEMBL8046691 0.90 KDM4E (0.37) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8046693 0.90 KDM4E (0.37) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8053357 0.88 APP (0.30) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8053353 0.88 APP (0.30) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL8046256 0.88 KDM4E (0.37) KDM4ENPC1MAPTALDH1A1HPGD

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