SCHEMBL17860726

SCHEMBL17860726

CCC(C)OC(=O)CCI

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
FAAH O00519 4/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL645070 0.86 CA12 (0.45) LMNAEPHX2CA12CA1CA2
SCHEMBL6734553 0.84 LMNA (0.41) LMNAEPHX2CA12CA1CA2
SCHEMBL17860717 0.83 LMNA (0.41) LMNAEPHX2MAPTMAPK1FAAH
SCHEMBL6231000 0.82 LMNA (0.52) LMNAEPHX2CA12CA1CA2
SCHEMBL2989645 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL2980900 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL10554751 0.82 LMNA (0.57) LMNAEPHX2CA12CA1CA2
SCHEMBL1585214 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL2535166 0.81 LMNA (0.47) LMNAEPHX2CA12CA1CA2
SCHEMBL17860689 0.80 FAAH (0.49) LMNAEPHX2CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed