SCHEMBL7712474

SCHEMBL7712474

C[Si](C)(C)C#Cc1ccccc1OC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
DHFR P00374 1/20 0.35
UCHL1 P09936 1/20 0.33
PDE4B Q07343 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN1 P18031 2/20 0.31
CREBBP Q92793 1/20 0.31
TNK2 Q07912 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
SCHEMBL7714966 0.80 KDM4C (0.35) KDM4CDHFRPDE4BKDM4EMEN1
SCHEMBL6342508 0.79 KDM4C (0.41) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL30788461 0.79 KDM4C (0.41) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL31546692 0.78 MCHR1 (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL673177 0.76 KAT2B (0.48)
SCHEMBL7234221 0.75 PDE4B (0.38) KDM4CDHFRPDE4BALDH1A1MAPT
SCHEMBL7240375 0.75 PDE4B (0.46) PDE4BALDH1A1HPGDPTPN1L3MBTL1
SCHEMBL7241320 0.75 ALDH1A1 (0.44) PDE4BMEN1ALDH1A1CYP2D6HPGD
SCHEMBL673176 0.75 TNK2 (0.38) KDM4CDHFRMEN1KMT2ATNK2
SCHEMBL8978127 0.74 MEN1 (0.48) PDE4BMEN1KMT2A

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