SCHEMBL7511206

SCHEMBL7511206

CNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.62
ALDH1A1 P00352 9/20 0.55
GAA P10253 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 3/20 0.53
ALOX15 P16050 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 2/20 0.53
HIF1A Q16665 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GMNN O75496 1/20 0.53
GABBR2 O75899 1/20 0.53
TP53 P04637 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53

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
Hydrochloric Acid SCHEMBL8843405 0.98 GSR (0.64) GSRALDH1A1GAATSHRLMNA
SCHEMBL28292868 0.85 GSR (0.65) GSRALDH1A1GAATSHRLMNA
SCHEMBL19937119 0.85 GSR (0.76) GSRALDH1A1GAATSHRLMNA
SCHEMBL5791663 0.83 GSR (0.62) GSRALDH1A1GAATSHRLMNA
SCHEMBL39559 0.82 ALDH1A1 (0.63) GSRALDH1A1GAATSHRLMNA
SCHEMBL11775795 0.82 GSR (0.61) GSRALDH1A1GAATSHRLMNA
SCHEMBL9124297 0.82 GSR (0.61) GSRALDH1A1GAATSHRLMNA
SCHEMBL526641 0.80 ALDH1A1 (0.61) GSRALDH1A1GAATSHRLMNA
Hydrochloric Acid SCHEMBL8940929 0.80 GSR (0.62) GSRALDH1A1GAATSHRLMNA
SCHEMBL16104894 0.80 GSR (0.59) GSRALDH1A1GAATSHRLMNA

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 36 patents — showing the first 20. 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 claimed
US-5552439-A AMINOPHENOL DERIVATIVES ELI LILLY AND COMPANY (US) 1996-09-03 US claimed
WO-1996022769-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO claimed
EP-0722723-A2 Phenol derivatives for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP claimed
EP-0680755-A1 Method for treating inflammation, ischemia-induced cell damage and muscular dystrophy ELI LILLY AND COMPANY (US) 1995-11-08 EP claimed
EP-0474403-B1 Method of treating inflammatory bowel disease LILLY CO ELI (US) 1995-05-10 EP claimed
US-5393786-A Administering certain phenolic compounds ELI LILLY AND COMPANY (US) 1995-02-28 US claimed
US-5281623-A Administering amino substituted phenolic derivatives as antiinflammatory or antiarthritic agents ELI LILLY AND COMPANY (US) 1994-01-25 US claimed
EP-0476846-A2 Method for treating imflammation, ischemia-induced cell damage and muscular dystrophy ELI LILLY AND COMPANY (US) 1992-03-25 EP claimed
EP-0474403-A1 Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1992-03-11 EP claimed
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US claimed
EP-0753521-B1 Process for distilling crude acrylic silane solution CHISSO CORP (JP) 2002-01-02 EP disclosed
US-5824195-A USING N-NITROSOPHENYLHYDROXYLAMINE SALT AND/OR COPPER DIALKYLDITHIOCARBAMATE SYNERGISTIC MIXTURE AS POLYMERIZATION INHIBITORS CHISSO CORPORATION (JP) 1998-10-20 US disclosed
US-5747429-A SILICONE OIL TONEN CORPORATION (JP) 1998-05-05 US disclosed
US-5633283-A Method for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1997-05-27 US disclosed
EP-0223149-A1 Heat resistant chloroprene copolymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed
US-4605705-A DIISOPROPYL XANTHOGEN DISULFIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-12 US disclosed
EP-0175245-A2 Heat resistant sulfur-modified polychloroprene copolymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-26 EP disclosed
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US disclosed
US-4124754-A POLYMERIZATION OF CHLOROPRENE IN THE PRESENCE OF SULFUR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-07 US disclosed