SCHEMBL8880116

SCHEMBL8880116

CCOC(=O)COc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
TBXAS1 P24557 1/20 0.33
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PTPN1 P18031 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
HIF1A Q16665 1/20 0.32
ALOX15 P16050 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
Hydrochloric Acid SCHEMBL8880970 0.99 ADRB2 (0.35) ADRB2ADRB1ADRB3TBXAS1P2RX3
SCHEMBL8880246 0.92 ALOX5AP (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL8880142 0.91 PPARG (0.33) ADRB2ADRB1ADRB3PTPN1PPARG
SCHEMBL8881999 0.90 PIK3CA (0.35) ADRB2ADRB1ADRB3GRIN1GRIN2B
SCHEMBL8878865 0.88 MEN1 (0.33) ALDH1A1POLB
SCHEMBL9825901 0.86 ACACB (0.32) PPARGPPARA
SCHEMBL8881673 0.86 ADRB1 (0.33) ADRB1ADRB3PPARGPPARAPOLB
SCHEMBL8880923 0.84 MEN1 (0.40) MAPTKDM4EPOLB
SCHEMBL8880963 0.84 CHRM2 (0.32)
SCHEMBL8880353 0.83 MEN1 (0.32) ADRB1ADRB3TP53GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604225-A DIETETICS; OBESITY DR. KARL THOMAE GMBH (DE) 1997-02-18 US disclosed
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
US-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed