SCHEMBL8907403

SCHEMBL8907403

CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.47
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
STS P08842 1/20 0.38
HCRTR2 O43614 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
KLK5 Q9Y337 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8908032 1.00 KLK7 (0.47) KLK7GAATHRBSMN1; SMN2PARP1
SCHEMBL35211172 0.90 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2PARP1
SCHEMBL4376617 0.83 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2STS
SCHEMBL4376621 0.83 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2STS
SCHEMBL6052767 0.83 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2STS
SCHEMBL7297892 0.83 KLK7 (0.47) KLK7PARP1STSHCRTR2GPR119
SCHEMBL12299746 0.82 ABCB1 (0.46) KLK7SMN1; SMN2KLK5L3MBTL1MEN1
SCHEMBL7301938 0.82 KLK7 (0.47) KLK7PARP1STSHCRTR2GPR119
SCHEMBL31228495 0.81 KLK7 (0.46) KLK7SMN1; SMN2PARP1STSHCRTR2
SCHEMBL31228493 0.81 KLK7 (0.46) KLK7SMN1; SMN2PARP1STSHCRTR2

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-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed