SCHEMBL23833352

SCHEMBL23833352

O=C(NO)C1CC(O)CN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.41
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
CTSC P53634 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MMP1 P03956 2/20 0.30
MMP13 P45452 2/20 0.30

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
SCHEMBL9640998 0.81 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL7373996 0.81 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL24481785 0.81 SMYD3 (0.40) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL24322630 0.81 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL29044305 0.81 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
Hydrochloric Acid SCHEMBL29044293 0.79 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
Hydrochloric Acid SCHEMBL29044295 0.79 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
Hydrochloric Acid SCHEMBL30537974 0.79 SMYD3 (0.43) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL6322503 0.78 EPHX2 (0.42) SMYD3DPP4DPP8DPP9CTSC
SCHEMBL12333642 0.78 SMYD3 (0.39) SMYD3DPP4DPP8DPP9CTSC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122540-A1 SYSTEMS AND METHODS TO TRACK THE EVOLUTION OF SINGLE CELLS GENENTECH INC (US) 2023-04-20 US disclosed
EP-4121526-A1 SYSTEMS AND METHODS TO TRACK THE EVOLUTION OF SINGLE CELLS GENENTECH, INC. (US) 2023-01-25 EP disclosed
WO-2021188973-A1 SYSTEMS AND METHODS TO TRACK THE EVOLUTION OF SINGLE CELLS GENENTECH, INC. (US) 2021-09-23 WO disclosed