SCHEMBL8843500

SCHEMBL8843500

CCc1cc(CN2CCCCC2)cc(CC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 7/20 0.58
TDP1 Q9NUW8 3/20 0.58
GAA P10253 2/20 0.58
POLB P06746 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RECQL P46063 2/20 0.49
BLM P54132 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
HRH4 Q9H3N8 1/20 0.44

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
Bromide SCHEMBL8843652 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL10008027 0.87 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL10011199 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1GAAL3MBTL1
SCHEMBL10849337 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL5571068 0.81 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL11280233 0.79 KDM4E (0.55) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL5571058 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL7735651 0.78 KDM4E (0.62) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL14228427 0.77 HRH3 (0.54) ALDH1A1KDM4ETDP1GAAPOLB
SCHEMBL3380016 0.76 KDM4E (0.59) ALDH1A1KDM4ETDP1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633283-A Method for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1997-05-27 US disclosed
US-5552439-A AMINOPHENOL DERIVATIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0722723-A2 Phenol derivatives for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0680755-A1 Method for treating inflammation, ischemia-induced cell damage and muscular dystrophy ELI LILLY AND COMPANY (US) 1995-11-08 EP disclosed
EP-0474403-B1 Method of treating inflammatory bowel disease LILLY CO ELI (US) 1995-05-10 EP disclosed
US-5393786-A Administering certain phenolic compounds ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
US-5281623-A Administering amino substituted phenolic derivatives as antiinflammatory or antiarthritic agents ELI LILLY AND COMPANY (US) 1994-01-25 US disclosed
US-5280046-A Using an amide containing phenol compound THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1994-01-18 US disclosed
EP-0500336-A1 Composition containing certain phenol and benzamide for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0476846-A2 Method for treating imflammation, ischemia-induced cell damage and muscular dystrophy ELI LILLY AND COMPANY (US) 1992-03-25 EP disclosed
EP-0474403-A1 Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1992-03-11 EP disclosed