SCHEMBL8622334

SCHEMBL8622334

CC(C)(C)OC(=O)CN([C@H]1CC[C@H](C(=O)O)CC1)S(C)(=O)=O.CC(C)(C)OC(=O)CN([C@H]1CC[C@H](c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c(NC=O)n2)CC1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.36
STS P08842 2/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP3A4 P08684 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 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
SCHEMBL8626177 0.96 GPR119 (0.38) GPR119DDB1CRBNPRKCGPRKCB
SCHEMBL8622341 0.85 GPR119 (0.36) GPR119STS
SCHEMBL8626184 0.80 GPR119 (0.39) GPR119
SCHEMBL8626181 0.75 PTPN2 (0.40) GPR119STSCYP3A4
SCHEMBL8625169 0.72 KMT2A (0.36)
SCHEMBL8625165 0.72 KMT2A (0.36)
SCHEMBL8622531 0.64 TP53 (0.39)
SCHEMBL10177808 0.62 GPR119 (0.51) GPR119
Bicarbonate SCHEMBL8549669 0.61 KMT2A (0.48)
SCHEMBL43357 0.60 HPGD (0.66) GPR119STS

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