SCHEMBL20153496

SCHEMBL20153496

CC(C(=O)N1CCN(c2ccccc2)CC1)[C@H]1NC(=O)[C@@H]1C(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 2/20 0.46
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
HTT P42858 1/20 0.42
LIPE Q05469 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL17865733 1.00 POLB (0.46) POLBMAPK1ADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL17865732 1.00 POLB (0.46) POLBMAPK1ADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL17865746 0.87 ACHE (0.44) POLBLMNAMEN1USP2ALDH1A1
SCHEMBL17865775 0.87 ACHE (0.44) POLBLMNAMEN1USP2ALDH1A1
SCHEMBL20153502 0.87 ACHE (0.44) POLBLMNAMEN1USP2ALDH1A1
SCHEMBL17865731 0.86 L3MBTL1 (0.50) MAPK1SMN1; SMN2GAALMNAMAPT
SCHEMBL17969615 0.86 L3MBTL1 (0.50) MAPK1SMN1; SMN2GAALMNAMAPT
SCHEMBL20153491 0.86 L3MBTL1 (0.50) MAPK1SMN1; SMN2GAALMNAMAPT
SCHEMBL19541331 0.83 ADAMTS5 (0.48) ADAMTS5LIPE
SCHEMBL19521228 0.83 ADAMTS5 (0.48) ADAMTS5LIPE

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