SCHEMBL8881007

SCHEMBL8881007

CCOCCOc1ccc(CC(C)NCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.58
SIGMAR1 Q99720 3/20 0.52
SLC6A4 P31645 1/20 0.52
SLC2A1 P11166 3/20 0.50
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43

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
SCHEMBL8882337 0.87 SIGMAR1 (0.59) ACACBSIGMAR1SLC6A4SLC2A1ADRB2
SCHEMBL8881084 0.83 SLC2A1 (0.59) ACACBSIGMAR1SLC6A4SLC2A1ADRB2
SCHEMBL9492053 0.78 ADRB3 (0.50) ACACBSIGMAR1SLC2A1ADRB2ADRB1
SCHEMBL9782119 0.78 ACACB (0.72) ACACB
SCHEMBL256292 0.78 ACACB (0.82) ACACB
SCHEMBL9782135 0.76 ACACB (0.47) ACACBSIGMAR1SLC2A1ADRB2ADRB1
SCHEMBL8879230 0.76 ADRB2 (0.59) ACACBSIGMAR1SLC6A4SLC2A1ADRB2
SCHEMBL27268878 0.76 ACACB (0.51) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL10562624 0.75 SLC6A4 (0.56) ACACBSLC6A4
SCHEMBL8879792 0.75 SLC6A4 (0.51) ACACBSIGMAR1SLC6A4SLC2A1ADRB2

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 4 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
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed