SCHEMBL9689984

SCHEMBL9689984

Cc1scc2ccc(-c3nnnn3CC(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
HSD11B1 P28845 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9690598 0.80 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1KDM4CLMNA
SCHEMBL9568773 0.78 ALDH1A1 (0.56) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947331 0.77 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9469451 0.77 ALDH1A1 (0.62) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947333 0.77 ALDH1A1 (0.65) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL5966727 0.75 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9689917 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD11B1KDM4CRAB9A
SCHEMBL8947275 0.74 ALDH1A1 (0.61) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947235 0.73 ALDH1A1 (0.59) ALDH1A1HPGDHSD11B1POLBLMNA
SCHEMBL8947261 0.72 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB

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
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed