SCHEMBL9568720

SCHEMBL9568720

CCCCc1ccc(-c2nnnn2CC(=O)OCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL9568775 0.89 NPSR1 (0.50) MAPK1ALDH1A1HPGD
SCHEMBL8947063 0.86 ALDH1A1 (0.46) ALDH1A1HPGDHSD11B1
SCHEMBL8947316 0.82 ALDH1A1 (0.63) ALDH1A1HPGDHSD11B1
SCHEMBL8947288 0.82
SCHEMBL9568853 0.81 ALDH1A1 (0.65) MAPK1ALDH1A1HPGDHSD11B1
SCHEMBL9568925 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1HPGDHSD11B1
SCHEMBL8947078 0.78 ALDH1A1 (0.60) ALDH1A1HPGDHSD11B1
SCHEMBL8947125 0.77 L3MBTL1 (0.48) MAPK1ALDH1A1HPGDHSD11B1
SCHEMBL9568758 0.75 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDHSD11B1
SCHEMBL8947156 0.74 MAPK1 (0.60) MAPK1ALDH1A1HPGD

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