SCHEMBL6239130

SCHEMBL6239130

CCC(C)CCC(=O)OC(=O)CCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 2/20 0.37
BLM P54132 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.33
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL1740099 0.88 ALDH1A1 (0.46) ALDH1A1PTPN1BLMLMNATSHR
SCHEMBL1739665 0.88 ALDH1A1 (0.50) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL29184097 0.87 LMNA (0.42) ALDH1A1PTPN1BLMLMNATSHR
SCHEMBL28429440 0.87 ALDH1A1 (0.46) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL1740945 0.86 ALDH1A1 (0.46) ALDH1A1PTPN1BLMLMNATSHR
SCHEMBL1739669 0.85 LMNA (0.52) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL29517193 0.81 LMNA (0.46) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL27434544 0.81 LMNA (0.46) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL1740948 0.81 LMNA (0.55) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL1740100 0.80 LMNA (0.55) ALDH1A1LMNATSHRCYP3A4ATM

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
EP-1549669-A1 TUMOR TARGETING AGENTS AND USES THEREOF Karyon OY (FI) 2005-07-06 EP disclosed
WO-2004031221-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed