SCHEMBL6855762

SCHEMBL6855762

CCCOC(C)n1cnc(C(=O)OCC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 4/20 0.36
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB11 O95342 1/20 0.34

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
SCHEMBL6855298 0.92 NPSR1 (0.39) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL6849824 0.90 MAPT (0.39) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL6853833 0.88 NOTUM (0.39) MAPTKDM4ETDP1NOTUMSMN1; SMN2
SCHEMBL6855538 0.86 MAPT (0.37) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL22040162 0.83 ADORA1 (0.45) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL6855527 0.80 GAA (0.38) MAPTNOTUMSMN1; SMN2
SCHEMBL6854520 0.80 MAPT (0.38) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL6854964 0.79 NOTUM (0.40) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL7473914 0.77 KMT2A (0.39) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL11851306 0.74 LMNA (0.35) ADORA3ADORA2AADORA1CYP3A4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed