SCHEMBL8947063

SCHEMBL8947063

CCCCc1ccc(-c2nnnn2CC(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL8947288 0.95
SCHEMBL8947152 0.87 ALDH1A1 (0.50) ALDH1A1HPGDHSD11B1TRPV1
SCHEMBL8947317 0.87 ALDH1A1 (0.57) ALDH1A1HPGDHSD11B1TRPV1
SCHEMBL9568720 0.86 MAPK1 (0.43) ALDH1A1HPGDHSD11B1
SCHEMBL8947316 0.86 ALDH1A1 (0.63) ALDH1A1HPGDHSD11B1
SCHEMBL8947125 0.85 L3MBTL1 (0.48) ALDH1A1HPGDHSD11B1TRPV1
SCHEMBL8947169 0.84 ALDH1A1 (0.49) ALDH1A1HPGDHSD11B1TRPV1
SCHEMBL8947240 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1TRPV1
SCHEMBL8947078 0.81 ALDH1A1 (0.60) ALDH1A1HPGDHSD11B1
SCHEMBL8947140 0.81 HSD11B1 (0.59) ALDH1A1HPGDHSD11B1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed