SCHEMBL11219084

SCHEMBL11219084

CCCCCCOC(=O)C(CCCCC)(CCCCC)C(=O)OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 6/20 0.44
DGKA P23743 1/20 0.44

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
SCHEMBL7772430 1.00 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28563002 0.96 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28556796 0.96 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28549732 0.94 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11396719 0.92 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28134684 0.92 MEN1 (0.45) NAAAEPHX1TSHRMEN1MAPT
SCHEMBL28134686 0.92 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28559343 0.90 MEN1 (0.42) NAAAEPHX1TSHRMEN1MAPT
SCHEMBL26922498 0.90 ACHE (0.47) NAAAEPHX1TSHRHCAR2MEN1
SCHEMBL26923036 0.88 NAAA (0.43) NAAAEPHX1TSHRHCAR2RAD52

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-4324718-A TIN TETRAMERCAPTIDE AND CROWN COMPOUND SOCIETE NATIONALE ELF AQUITAINE (FR) 1982-04-13 US disclosed