SCHEMBL6161948

SCHEMBL6161948

CCCCCCCCCCCCCCCCCCOC(=O)N=C=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL6161876 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10451499 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5821261 0.98 NAAA (0.48) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL8544588 0.92 ALDH1A1 (0.50) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL6160036 0.90 FAAH (0.51) NPSR1FAAHLMNA
SCHEMBL11851237 0.84
SCHEMBL8753101 0.83 TSHR (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11881936 0.83 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11879157 0.83 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1384458 0.81 NAAA (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed