SCHEMBL13123718

SCHEMBL13123718

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
LMNA P02545 2/20 0.33
P2RY10 O00398 1/20 0.33
GPR34 Q9UPC5 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
PAM P19021 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30

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
SCHEMBL6405827 0.84 CA2 (0.42) LMNACA2CA1MAPK1ALDH1A1
SCHEMBL9360370 0.82 CA2 (0.47) P2RY10GPR34CA2CA1PAM
SCHEMBL18635911 0.80 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL13123727 0.78 MMP1 (0.37) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4442929 0.78 CA2 (0.53) LMNAP2RY10GPR34CA2CA1
SCHEMBL8700063 0.77 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL29249792 0.75 PAM (0.47) PAMALDH1A1
SCHEMBL7057334 0.74 EGLN1 (0.42) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4211949 0.74 TSHR (0.48) LMNAPAMALDH1A1
SCHEMBL9989221 0.74 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