SCHEMBL13123727

SCHEMBL13123727

CC(C)CC(=O)OCC(C)(C)COC(=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LMNA P02545 2/20 0.34
P2RY10 O00398 1/20 0.32
GPR34 Q9UPC5 1/20 0.32
PRKCA P17252 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
GLA P06280 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 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
SCHEMBL8215989 0.87 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8700063 0.82 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL18635911 0.82 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL18908741 0.82 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13123718 0.78 EGLN1 (0.35) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL7349207 0.76 EGLN1 (0.42) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4211949 0.76 TSHR (0.48) LMNAALDH1A1TDP1
SCHEMBL7560959 0.76 KDM4C (0.45) PHF8KDM2ALMNAP2RY10GPR34
SCHEMBL3442983 0.75 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9989221 0.75 EGLN1 (0.45) EGLN1KDM6BKDM5CPHF8KDM2A

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-7812190-B2 Derivatization and solubilization of fullerenes for use in therapeutic and diagnostic applications TDA RESEARCH, INC. (US) 2010-10-12 US disclosed