SCHEMBL8053947

SCHEMBL8053947

CCCCCOC(C)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
NR5A1 Q13285 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
LTA4H P09960 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
SCHEMBL8053942 1.00 NPC1 (0.33) NPC1RAB9AMEN1KMT2AABCG2
SCHEMBL8051602 0.94 NPC1 (0.32) NPC1RAB9AKDM4ETRPV1
SCHEMBL8051606 0.94 NPC1 (0.32) NPC1RAB9AKDM4ETRPV1
SCHEMBL8036592 0.92 RAB9A (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8036598 0.92 RAB9A (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8051367 0.91 ESR2 (0.35) NR5A1LTA4H
SCHEMBL8051370 0.91 ESR2 (0.35) NR5A1LTA4H
SCHEMBL8054138 0.91 ESR2 (0.35) NR5A1LTA4H
SCHEMBL8054141 0.91 ESR2 (0.35) NR5A1LTA4H
SCHEMBL8036683 0.90 NPC1 (0.36) NPC1RAB9ANR5A1KDM4E

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