SCHEMBL20153494

SCHEMBL20153494

CC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1NC(=O)[C@@H]1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
DDB1 Q16531 3/20 0.41
CRBN Q96SW2 3/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ADAM17 P78536 2/20 0.39
MMP3 P08254 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP13 P45452 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17865739 1.00 HTT (0.43) HTTATMDDB1CRBNMAPT
SCHEMBL17865738 1.00 HTT (0.43) HTTATMDDB1CRBNMAPT
SCHEMBL17865748 1.00 HTT (0.43) HTTATMDDB1CRBNMAPT
SCHEMBL19521244 0.88 NR1H2 (0.40) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL19521200 0.88 NR1H2 (0.40) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL19521196 0.88 NR1H2 (0.40) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL19541286 0.88 NR1H2 (0.40) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL20153495 0.84 HRH3 (0.33) ADAM17ADAMTS5
SCHEMBL17865755 0.84 HRH3 (0.33) ADAM17ADAMTS5
SCHEMBL17969610 0.84 HRH3 (0.33) ADAM17ADAMTS5

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-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US claimed