SCHEMBL8880433

SCHEMBL8880433

COC(=O)COc1ccc(CC(C)N2CCOC(c3nc(C(F)(F)F)sc3C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL10582283 0.87 LMNA (0.33) MEN1ALDH1A1KMT2ACHRM3MAPT
SCHEMBL8880246 0.86 ALOX5AP (0.36) ALOX5APMEN1ALDH1A1HPGDKMT2A
SCHEMBL9826061 0.83 SMN1; SMN2 (0.36) ALOX5APMEN1ALDH1A1HPGDKMT2A
SCHEMBL9770957 0.82 ALOX5AP (0.38) ALOX5APADRB2ADRB1ADRB3GLA
SCHEMBL8878894 0.80 MEN1 (0.37) ALOX5APMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL10505879 0.80 ALOX5AP (0.44) ALOX5APMEN1ALDH1A1HPGDKMT2A
SCHEMBL8880116 0.80 ADRB2 (0.36) ALDH1A1HPGDMAPTADRB2ADRB1
SCHEMBL8880254 0.79 MEN1 (0.36) ALOX5APMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL8880970 0.79 ADRB2 (0.35) ALDH1A1HPGDMAPTADRB2ADRB1
SCHEMBL8879820 0.79 GLA (0.37) MEN1ALDH1A1HPGDKMT2ACHRM3

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 5 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
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