SCHEMBL8036827

SCHEMBL8036827

C=CCc1ccc2nc(-c3ccc(C=CCCCC(C)O)cc3)cnc2c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
APP P05067 5/20 0.31
KDM4E B2RXH2 5/20 0.31
ALDH1A1 P00352 5/20 0.31
HPGD P15428 4/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TLR9 Q9NR96 1/20 0.31
MITF O75030 1/20 0.30
KLF5 Q13887 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL8036822 1.00 ALOX5 (0.31) ALOX5APPKDM4EALDH1A1HPGD
SCHEMBL8046300 0.94 APP (0.31) APPKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8046305 0.94 APP (0.31) APPKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8046613 0.88 ESR1 (0.31) ALOX5
SCHEMBL8046606 0.88 ESR1 (0.31) ALOX5
SCHEMBL8046048 0.86 ALOX5AP (0.31)
SCHEMBL8046044 0.86 ALOX5AP (0.31)
SCHEMBL8036779 0.86 MAPT (0.36) ALOX5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8036782 0.86 MAPT (0.36) ALOX5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8047187 0.86 KDM4E (0.37) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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