SCHEMBL8947331

SCHEMBL8947331

O=C(O)Cn1nnnc1-c1ccc(-c2nnnn2CC(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.84
HPGD P15428 1/20 0.84
HSD11B1 P28845 5/20 0.53
KDM4C Q9H3R0 1/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
P2RX7 Q99572 2/20 0.45
STAT5B P51692 1/20 0.45
LMNA P02545 1/20 0.41

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
SCHEMBL8947261 0.93 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947281 0.93 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL5966727 0.93 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL5966693 0.93 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947199 0.92 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947260 0.92 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947164 0.92 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947183 0.92 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947365 0.89 ALDH1A1 (0.69) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947265 0.88 ALDH1A1 (0.68) 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 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