SCHEMBL8947279

SCHEMBL8947279

CCOC(=O)Cn1nnnc1-c1ccc(C(=O)OCC)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.46
TP53 P04637 1/20 0.42
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B2 P37059 1/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8947157 0.74 MAPK1 (0.53) MAPK1NPC1TP53LMNAALDH1A1
SCHEMBL20996785 0.71 CA12 (0.57) MAPK1LMNAALDH1A1MAPTCA12
SCHEMBL11925429 0.70 CA12 (0.56) MAPK1LMNAALDH1A1MAPTCA12
SCHEMBL11925424 0.70 CA12 (0.56) MAPK1LMNAALDH1A1MAPTCA12
SCHEMBL8947294 0.70 MAPK1 (0.61) MAPK1ALDH1A1TSHRKDM4EPOLB
SCHEMBL403798 0.69 CA1 (0.68) TP53LMNAALDH1A1MAPTCA12
SCHEMBL11778347 0.69 MAPK1 (0.69) MAPK1LMNAALDH1A1MAPTTSHR
SCHEMBL8947156 0.69 MAPK1 (0.60) MAPK1ALDH1A1MAPTTSHRKDM4E
SCHEMBL20996786 0.67 KDM4E (0.56) MAPK1LMNAALDH1A1MAPTCA12
SCHEMBL20518663 0.67 MAPK1 (1.00) MAPK1ALDH1A1TSHRKDM4EPOLB

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 3 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
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