SCHEMBL8048069

SCHEMBL8048069

C=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)nn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 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
SCHEMBL8048073 1.00 MEN1 (0.32) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8049364 0.90 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8049359 0.90 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8046707 0.85 NPC1 (0.31) NPC1TP53RAB9A
SCHEMBL8046705 0.85 NPC1 (0.31) NPC1TP53RAB9A
SCHEMBL8036481 0.85 NPC1 (0.32) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL8036488 0.85 NPC1 (0.32) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL8054247 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL8049298 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL8054239 0.84 MEN1 (0.31) MEN1KMT2A

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