SCHEMBL8947157

SCHEMBL8947157

CCOC(=O)COC(=O)c1ccc(-c2nnnn2CC(=O)OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 3/20 0.45
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
ADRB2 P07550 1/20 0.41
HSD11B1 P28845 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
SCHEMBL8947156 0.83 MAPK1 (0.60) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8947294 0.82 MAPK1 (0.61) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8947337 0.80 MAPK1 (0.50) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8947162 0.79 HPGD (0.49) MAPK1ALDH1A1HPGDTSHRNPC1
SCHEMBL8947317 0.76 ALDH1A1 (0.57) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8947152 0.74 ALDH1A1 (0.50) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL8947279 0.74 MAPK1 (0.48) MAPK1ALDH1A1TP53TSHRNPC1
SCHEMBL8947128 0.73 MAPK1 (0.53) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8118104 0.73 MAPK1 (0.53) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL8947240 0.72 ALDH1A1 (0.54) MAPK1ALDH1A1HPGDKDM4ESMN1; SMN2

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