SCHEMBL7710644

SCHEMBL7710644

CC(C)(C)c1ccc(Br)cc1OC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
PDE4B Q07343 2/20 0.34
DHFR P00374 1/20 0.34
PTPN1 P18031 4/20 0.34
HSD11B1 P28845 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7712897 0.92 PTGDR2 (0.42) NPY1RNPY2RPTGDR2PDE4BPTPN1
SCHEMBL7802721 0.85 PTPN1 (0.37) NPY1RNPY2RPDE4BDHFRPTPN1
SCHEMBL28897169 0.84 PDE4B (0.48) NPY1RNPY2RPDE4BPTPN1
SCHEMBL30124787 0.84 PDE4B (0.48) NPY1RNPY2RPDE4BPTPN1
SCHEMBL2891959 0.84 PDE4B (0.43) NPY1RNPY2RPDE4BPTPN1
SCHEMBL30601751 0.84 PDE4B (0.48) NPY1RNPY2RPDE4BPTPN1
SCHEMBL27404540 0.84 MAPK1 (0.38) NPY1RNPY2RPDE4BDHFRPTPN1
SCHEMBL16035389 0.82 ALDH1A1 (0.39) NPY1RNPY2RPDE4BDHFRPTPN1
SCHEMBL12429186 0.82 LMNA (0.35) NPY1RNPY2RPDE4BDHFRPTPN1
SCHEMBL7710565 0.82 ALDH1A1 (0.40) PDE4BKDM4CLMNASMN1; SMN2

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 9 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
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