SCHEMBL20153491

SCHEMBL20153491

COc1ccc(N2CCN(C(=O)C(C)[C@H]3NC(=O)[C@@H]3C(C)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
AKR1C3 P42330 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL17865731 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17969615 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17865732 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL20153496 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL17865733 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL17865752 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17865774 0.78 NPC1 (0.39) HSD17B10TP53
SCHEMBL17999632 0.78 PIK3CD (0.35) ALDH1A1KMT2AMAPTGFER
SCHEMBL17865773 0.78 NPC1 (0.39) HSD17B10TP53
SCHEMBL20952055 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AHTTGAA

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