SCHEMBL17243787

SCHEMBL17243787

COc1ccc(OCC(=O)N(C)OC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HIF1A Q16665 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BCHE P06276 1/20 0.44
PRNP P04156 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1721863 0.79 KMT2A (0.49) POLBLMNAPRNPKMT2AALDH1A1
SCHEMBL10851561 0.79 RAB9A (0.57) POLBHIF1ACA12CA1CA2
SCHEMBL3176485 0.79 LMNA (0.62) POLBCA12CA1CA2CA7
SCHEMBL11212890 0.79 KMT2A (0.57) POLBCA12CA1CA2CA7
SCHEMBL22232434 0.78 MRGPRX4 (0.49) POLBLMNAMAPTKDM4EKMT2A
SCHEMBL13472196 0.78 TRPM8 (0.53) HIF1ALMNAMAPTKMT2AALDH1A1
SCHEMBL11212886 0.78 CA12 (0.52) POLBHIF1ACA12CA1CA2
SCHEMBL14839650 0.78 CA12 (0.52) POLBHIF1ACA12CA1CA2
SCHEMBL9274238 0.78 KMT2A (0.56) POLBCA12CA1CA2CA7
SCHEMBL14830177 0.77 ALDH1A1 (0.47) CA2LMNAMAPTKMT2AALDH1A1

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-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed