SCHEMBL8947202

SCHEMBL8947202

O=C(O)CCn1nnnc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.76
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
HDAC6 Q9UBN7 1/20 0.56
HPGD P15428 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.53
ESR1 P03372 1/20 0.51
P2RX7 Q99572 3/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 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
SCHEMBL8947319 0.91 HSD11B1 (0.68) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947374 0.89 HSD11B1 (0.66) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL408080 0.88 HSD11B1 (0.72) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL18496480 0.88 HSD11B1 (0.59) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL5593165 0.86 HSD11B1 (1.00) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL5966693 0.83 ALDH1A1 (0.74) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947182 0.83 HSD11B1 (0.65) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL10635287 0.81 ALDH1A1 (0.68) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947261 0.81 ALDH1A1 (0.75) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL10972067 0.79 HSD11B1 (0.60) HSD11B1ALDH1A1POLBHTTHDAC6

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