SCHEMBL8882099

SCHEMBL8882099

CC(Cc1ccc(OCC(=O)O)cc1)N1CCOC(c2csc(Cl)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CPT1A P50416 1/20 0.34
ALOX5AP P20292 1/20 0.34
TBXAS1 P24557 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARD Q03181 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL8879820 0.91 GLA (0.37) HRH3ADRB2ADRB1ADRB3CPT1A
SCHEMBL8880885 0.91 ALDH1A1 (0.38) HRH3ADRB2ADRB1ADRB3THRB
Hydrochloric Acid SCHEMBL8878558 0.90 ADRB2 (0.33) HRH3ADRB2ADRB1ADRB3CPT1A
Hydrochloric Acid SCHEMBL8878535 0.90 ADRB2 (0.33) HRH3ADRB2ADRB1ADRB3CPT1A
SCHEMBL8880142 0.88 PPARG (0.33) HRH3ADRB2ADRB1ADRB3CPT1A
SCHEMBL8879419 0.88 HRH3 (0.36) HRH3ADRB2ADRB1ADRB3S1PR1
SCHEMBL9770829 0.86 ADRB2 (0.38) HRH3ADRB2ADRB1ADRB3ADRA1D
SCHEMBL8881216 0.84 HRH3 (0.35) HRH3LMNAPPARGPPARA
SCHEMBL9251458 0.83 PIK3CA (0.38) HRH3ADRB2ADRB1ADRB3CYP1A2
SCHEMBL8878894 0.83 MEN1 (0.37) HRH3ADRB2ADRB1ADRB3CYP1A2

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