SCHEMBL8048559

SCHEMBL8048559

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)c(F)c3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MGLL Q99685 6/20 0.34
FAAH O00519 2/20 0.34
CNR1 P21554 2/20 0.34
CYP17A1 P05093 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
CYP11B1 P15538 1/20 0.32

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
SCHEMBL8048564 1.00 KDM4E (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8051057 0.96 CYP11B1 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8051061 0.96 CYP11B1 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8046812 0.96 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8046816 0.96 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8036631 0.94 KDM4E (0.34) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8036626 0.94 KDM4E (0.34) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8054417 0.91 MGLL (0.39) KDM4EMGLLFAAHCNR1CYP17A1
SCHEMBL8036820 0.91 MGLL (0.39) KDM4EMGLLFAAHCNR1CYP17A1
SCHEMBL8054415 0.91 MGLL (0.39) KDM4EMGLLFAAHCNR1CYP17A1

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