SCHEMBL28649161

SCHEMBL28649161

CC(C)(C)OC(=O)N1C([C@H](OCc2ccccc2)[C@@H](O)CO)COC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.38
SPHK1 Q9NYA1 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.35
BRD4 O60885 1/20 0.35
HTR2C P28335 1/20 0.34
KLK5 Q9Y337 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ABCB1 P08183 1/20 0.34
STS P08842 1/20 0.33
CTSS P25774 1/20 0.33
PARP1 P09874 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
SCHEMBL28649160 1.00 KLK7 (0.38) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL28649158 1.00 KLK7 (0.38) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL223309 0.82 KLK7 (0.39) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL2741064 0.82 KLK7 (0.39) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL223310 0.82 KLK7 (0.39) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL30302061 0.82 KLK7 (0.38) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL28520961 0.82 YAP1 (0.39) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL28643591 0.82 KLK7 (0.38) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL28643588 0.82 KLK7 (0.38) KLK7SPHK1GPR119CTSLBRD4
SCHEMBL14043466 0.81 SPHK1 (0.39) KLK7SPHK1GPR119CTSLBRD4

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
CN-113573779-A C10-alkylene substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-10-29 CN disclosed