SCHEMBL6519440

SCHEMBL6519440

CCCCOCCOC(=O)/C=C/C(=O)OCC(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 4/20 0.45
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
APP P05067 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6520377 0.93 ATM (0.59) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL6523073 0.89 ALDH1A1 (0.39) ATMHCAR2RAB9ATSHRALDH1A1
SCHEMBL6515419 0.82 CES2 (0.39) ATMRAB9ATSHRALDH1A1MEN1
SCHEMBL6523557 0.81 ATM (0.37) ATMHCAR2RAB9ANPSR1ALDH1A1
SCHEMBL6519734 0.81 HCAR2 (0.47) ATMHCAR2MAPTALDH1A1MEN1
SCHEMBL6521104 0.81 ALDH1A1 (0.39) ATMHCAR2RAB9AALDH1A1MEN1
SCHEMBL2890708 0.81 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18264191 0.81 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL2898518 0.81 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9869162 0.81 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed