SCHEMBL16444587

SCHEMBL16444587

CCC(C)COC(=O)[C@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TSHR P16473 4/20 0.35
TP53 P04637 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16444588 1.00 MAPT (0.47) MAPTTSHRTP53FFAR1KDM4E
SCHEMBL2825399 1.00 MAPT (0.47) MAPTTSHRTP53FFAR1KDM4E
SCHEMBL28148784 0.89 MAPT (0.40) MAPTTSHR
SCHEMBL536924 0.87 TP53 (0.38) MAPTTSHRTP53MEN1ALDH1A1
SCHEMBL12414729 0.83 MAPT (0.48) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL6060785 0.83 MAPT (0.48) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL15512210 0.81 KDM4E (0.36) MAPTTSHRTP53KDM4EMEN1
SCHEMBL14270880 0.81 TSHR (0.41) MAPTTSHRTP53ALDH1A1LMNA
SCHEMBL1172359 0.81 MAPT (0.47) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL8954807 0.81 MAPT (0.47) MAPTTSHRFFAR1KDM4EMEN1

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
US-20150045576-A1 METHODS OF MAKING ALKYL LACTATES AND ALKYL LEVULINATES FROM SACCHARIDES BATTELLE MEMORIAL INSTITUTE 2015-02-12 US disclosed