SCHEMBL8932469

SCHEMBL8932469

COC(SC1CNC(=O)N(C(=O)OC(C)(C)C)C1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.35
GPR119 Q8TDV5 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
RORC P51449 3/20 0.34
KDM1A O60341 1/20 0.34
ATM Q13315 1/20 0.33
BUB1 O43683 1/20 0.33
USP30 Q70CQ3 2/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
CCR5 P51681 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL8932468 0.72 ALDH1A1 (0.39) KMT2AMEN1KDM4E
SCHEMBL8932430 0.70 HSD17B10 (0.42) GPR119KDM1A
SCHEMBL18045322 0.67 USP30 (0.43) TACR1GPR119KMT2ARORCUSP30
SCHEMBL18045321 0.67 USP30 (0.43) TACR1GPR119KMT2ARORCUSP30
SCHEMBL18045354 0.67 USP30 (0.43) TACR1GPR119KMT2ARORCUSP30
SCHEMBL22781213 0.66 RORC (0.44) GPR119KMT2AMEN1RORCKDM1A
SCHEMBL18448053 0.66 RORC (0.44) GPR119KMT2AMEN1RORCKDM1A
SCHEMBL3730076 0.65 MEN1 (0.46) GPR119KMT2AMEN1RORCKDM1A
SCHEMBL18448056 0.64 RIPK1 (0.49) GPR119MAPK1RORCKLK7
SCHEMBL31323319 0.64 KCNK3 (0.50) GPR119KMT2A

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
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed