SCHEMBL21092206

SCHEMBL21092206

CNc1ccccc1C(C)CC(C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
APP P05067 1/20 0.33
AOC3 Q16853 2/20 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
SCHEMBL21019024 0.85 L3MBTL1 (0.38) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL22624549 0.79 TSHR (0.55) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL4089395 0.79 TSHR (0.55) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL23341753 0.79 TSHR (0.55) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL20225784 0.77 TAAR1 (0.47) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL24239796 0.75 POLB (0.43) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL25700242 0.74 L3MBTL1 (0.41) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL28786027 0.74 L3MBTL1 (0.41) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL2737240 0.73 L3MBTL1 (0.55) L3MBTL1MAPTTDP1POLBKDM4E
SCHEMBL23766332 0.73 POLB (0.36) L3MBTL1MAPTTDP1POLBKDM4E

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-2019113227-A1 PRODRUGS ACTIVATED BY REDUCTION IN THE CYTOSOL YALE UNIVERSITY (US) 2019-06-13 WO disclosed