SCHEMBL7714966

SCHEMBL7714966

C#Cc1ccccc1OC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
DHFR P00374 1/20 0.33
PDE4B Q07343 2/20 0.32
EZH2 Q15910 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL6342508 0.84 KDM4C (0.41) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL30788461 0.84 KDM4C (0.41) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL7712474 0.80 KDM4C (0.35) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL12429188 0.80 SLC6A4 (0.44) KDM4CL3MBTL1SLC6A3
SCHEMBL28867052 0.77 MCHR1 (0.40) PDE4BKDM4ESLC6A3
SCHEMBL7865864 0.77 KDM4C (0.36) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL1603487 0.77 CYP2D6 (0.41) SLC6A3
SCHEMBL7710565 0.77 ALDH1A1 (0.40) KDM4CPDE4BKDM4EL3MBTL1
SCHEMBL954903 0.76 HPGD (0.38) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL7774635 0.76 SLC6A2 (0.39) KDM4CMEN1KMT2AKDM4EL3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369100-B1 Method for inhibiting gene expression promoted by AP1 protein with RARβ selective retinoids and method for treatment of diseases and conditions with such retinoids ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6025388-A Method for inhibiting gene expression promoted by AP1 protein with RARβ selective retinoids and method for treatment of diseases and conditions with such retinoids ALLERGAN SALES, INC. (US) 2000-02-15 US disclosed
US-5847160-A Acetylenes disubstituted with 2-tetrahydropyranoxy-aryl and aryl of heteroaryl groups having retinoid-like biological activity ALLERGAN (US) 1998-12-08 US disclosed
EP-0828490-A1 RAR-beta SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY Allergan (US) 1998-03-18 EP disclosed
US-5698700-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN (US) 1997-12-16 US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
WO-1996020938-A1 ACETYLENES DISUBSTITUTED WITH 2-TETRAHYDROPYRANOXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
WO-1996020937-A1 ACETYLENES DISUBSTITUTED WITH HYDROXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5534641-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-07-09 US disclosed
US-5498795-A ANTITUMOR AGENTS, SKIN DISORDERS, ATHEROSCLEROSIS, PROSTATE CANCER AND AUTOIMMUNE DISEASES ALLERGAN, INC. (US) 1996-03-12 US disclosed