SCHEMBL8790046

SCHEMBL8790046

CCCCOCc1ccc(-c2nnnn2CC(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL8791092 0.85 ALDH1A1 (0.46) ALDH1A1HPGDPOLBMAPTKDM4C
SCHEMBL9845581 0.84 ALDH1A1 (0.47) ALDH1A1HPGDPOLBMAPTKDM4C
SCHEMBL8791478 0.80 MAPT (0.34) ALDH1A1POLBMAPT
SCHEMBL8790264 0.77 ALDH1A1 (0.55) ALDH1A1HPGDPOLBKDM4C
SCHEMBL8792681 0.74 ALDH1A1 (0.44) ALDH1A1HPGDKDM4C
SCHEMBL8947248 0.73 ALDH1A1 (0.61) ALDH1A1HPGDKDM4C
SCHEMBL8791041 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4C
SCHEMBL8792333 0.71 ALDH1A1 (0.55) ALDH1A1HPGDPOLBMAPTKDM4C
SCHEMBL8791414 0.71 ALDH1A1 (0.43) ALDH1A1HPGDKDM4C
SCHEMBL8947283 0.70 ALDH1A1 (0.57) ALDH1A1HPGD

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
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed