SCHEMBL9568775

SCHEMBL9568775

CCCCOc1ccc(-c2nnnn2CC(=O)OCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL9568720 0.89 MAPK1 (0.43) MAPK1ALDH1A1HPGD
SCHEMBL8947125 0.88 L3MBTL1 (0.48) NPSR1L3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL8947248 0.85 ALDH1A1 (0.61) NPSR1ALDH1A1HPGD
SCHEMBL8947272 0.85 RARB (0.47) L3MBTL1MAPK1TSHR
SCHEMBL9568853 0.83 ALDH1A1 (0.65) L3MBTL1MAPTMAPK1ALDH1A1HPGD
SCHEMBL9568925 0.83 ALDH1A1 (0.54) MAPTMAPK1ALDH1A1HPGDTSHR
SCHEMBL8947283 0.82 ALDH1A1 (0.57) ALDH1A1HPGDTSHR
SCHEMBL9568758 0.79 ALDH1A1 (0.41) NPSR1L3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL8947156 0.76 MAPK1 (0.60) NPSR1L3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL9557277 0.76 MAPK1 (0.41) NPSR1L3MBTL1MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed