SCHEMBL8947248

SCHEMBL8947248

CCCCOc1ccc(-c2nnnn2CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
KDM4C Q9H3R0 1/20 0.49
HSD11B1 P28845 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RARB P10826 3/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL8947283 0.96 ALDH1A1 (0.57) ALDH1A1HPGDRARB
SCHEMBL8947125 0.88 L3MBTL1 (0.48) ALDH1A1HPGDHSD11B1NPSR1
SCHEMBL8947141 0.85 ALDH1A1 (0.53) ALDH1A1HPGD
SCHEMBL9568775 0.85 NPSR1 (0.50) ALDH1A1HPGDNPSR1
SCHEMBL8947272 0.84 RARB (0.47) RARB
SCHEMBL5966725 0.84 ALDH1A1 (0.68) ALDH1A1HPGDKDM4CHSD11B1
SCHEMBL8947331 0.83 ALDH1A1 (0.84) ALDH1A1HPGDKDM4CHSD11B1
SCHEMBL8947316 0.83 ALDH1A1 (0.63) ALDH1A1HPGDHSD11B1RARB
SCHEMBL5966727 0.81 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1
SCHEMBL8947299 0.80 ALDH1A1 (0.66) ALDH1A1HPGDKDM4CHSD11B1

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 6 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-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
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