SCHEMBL7755301

SCHEMBL7755301

CCCOC(=O)CCC(C)OC(=O)C(CCC)O[C]=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5569443 0.81 FAAH (0.34) FAAH
SCHEMBL1070843 0.78 HDAC1 (0.34) ALDH1A1
SCHEMBL1788899 0.77 LMNA (0.35)
SCHEMBL9737113 0.74 FAAH (0.51) FAAHALDH1A1L3MBTL1
SCHEMBL9316108 0.73 CYP3A4 (0.45) FAAHALDH1A1
SCHEMBL28793915 0.72 DGKA (0.42) DGKAALDH1A1L3MBTL1
SCHEMBL7146084 0.72
SCHEMBL9602250 0.71 TSHR (0.36) L3MBTL1
SCHEMBL31182139 0.71 DGKA (0.41) DGKAALDH1A1L3MBTL1
SCHEMBL18803112 0.70 DGKA (0.44) DGKAALDH1A1L3MBTL1

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
WO-2001066077-A1 USE OF 4-OXORETINOL AND DERIVATIVES THEREOF IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed