SCHEMBL8626181

SCHEMBL8626181

CC(C)(C)OC(=O)CN(C1CCC(C(=O)Nc2nccn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
STS P08842 7/20 0.38
GPR119 Q8TDV5 7/20 0.37
HCAR1 Q9BXC0 1/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL8626177 0.75 GPR119 (0.38) GPR119HCAR1L3MBTL1
SCHEMBL8622334 0.75 GPR119 (0.36) STSGPR119CYP3A4
SCHEMBL8626184 0.73 GPR119 (0.39) GPR119HCAR1
SCHEMBL8622341 0.72 GPR119 (0.36) STSGPR119HCAR1
SCHEMBL948139 0.69 GPR119 (0.53) PTPN2PTPN1PTPN6GPR119HCAR1
SCHEMBL8622531 0.69 TP53 (0.39) L3MBTL1
SCHEMBL8625165 0.68 KMT2A (0.36)
SCHEMBL8625169 0.68 KMT2A (0.36)
SCHEMBL948667 0.68 GPR119 (0.50) PTPN2PTPN1PTPN6GPR119HCAR1
SCHEMBL947133 0.68 GPR119 (0.50) PTPN2PTPN1PTPN6GPR119HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed