SCHEMBL8971019

SCHEMBL8971019

CCOC(=O)C(=O)C1C(=O)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
ALDH1A1 P00352 6/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
KDM4E B2RXH2 9/20 0.56
NLRP3 Q96P20 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL7218237 0.85 MAPT (0.74) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL27619302 0.77 ALDH1A1 (0.62) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL6297845 0.75 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL14364502 0.74 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL28573090 0.74 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7681777 0.74 MAPT (0.58) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL16349772 0.73 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL1461839 0.73 MAPT (0.56) MAPTALDH1A1L3MBTL1KDM4ENLRP3
SCHEMBL8999062 0.72 MAPT (0.56) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL7093706 0.72 MAPT (0.55) MAPTALDH1A1L3MBTL1KDM4ENLRP3

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-5580877-A Pyrazolo-quinoline derivatives for treating cerebral ischemia MERCK SHARP & DOHME LTD. (GB) 1996-12-03 US disclosed