SCHEMBL9742973

SCHEMBL9742973

CCCCCCCC(=O)NCCC[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
DNM1 Q05193 2/20 0.49
CASP2 P42575 1/20 0.49
NAAA Q02083 1/20 0.46
EPHX2 P34913 3/20 0.45
SLC6A5 Q9Y345 2/20 0.44
KDM4E B2RXH2 1/20 0.42
LPAR1 Q92633 1/20 0.42
SELP P16109 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
SCHEMBL2359480 0.96 CASP2 (0.51) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL7901589 0.96 CASP2 (0.51) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL1259472 0.89 EPHX2 (0.60) EPHX2SLC6A5KDM4ELPAR1
SCHEMBL7899802 0.84 FAAH (0.50) FAAHDNM1CASP2EPHX2
SCHEMBL7676308 0.82 FAAH (0.47) FAAHDNM1CASP2EPHX2
SCHEMBL7900187 0.82 ALDH1A1 (0.41)
SCHEMBL94469 0.82 HTT (0.46) DNM1
SCHEMBL94004 0.82 HTT (0.46) DNM1
SCHEMBL607638 0.82 HTT (0.46) DNM1
SCHEMBL18139829 0.82 HTT (0.46) DNM1

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
JP-4217908-A None JP disclosed
JP-H04217908-A TRICHOGENOUS AGENT TAISHO PHARMACEUT CO LTD 1992-08-07 JP disclosed