SCHEMBL6549547

SCHEMBL6549547

CCCCCCCCCC(CC)[N+]1([O-])CCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.32
LMNA P02545 1/20 0.31
LAP3 P28838 1/20 0.31
CA2 P00918 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL6668221 0.74 LMNA (0.33) FDPSLMNACA2DNM1
Hydrochloric Acid SCHEMBL21629329 0.68 THRB (0.34)
SCHEMBL28409931 0.60 TSHR (0.47) FDPSLMNACA2DNM1
SCHEMBL17263912 0.60 CA2 (0.48) FDPSLMNACA2DNM1
Heptane SCHEMBL11316948 0.58 TSHR (0.61) LMNADNM1
Oxirane SCHEMBL28436205 0.58 TSHR (0.61) LMNADNM1
Decane SCHEMBL25391362 0.57 TSHR (0.89) LMNADNM1
SCHEMBL7536480 0.57 LMNA (0.62) FDPSLMNACA2DNM1
SCHEMBL9204296 0.57 LMNA (0.62) FDPSLMNACA2DNM1
SCHEMBL22027598 0.57 LMNA (0.62) FDPSLMNACA2DNM1

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-0706788-B2 Acid dye containing colorants KAO CORP (JP) 2004-01-28 EP disclosed
EP-0706788-B1 Acid dye containing colorants KAO CORP (JP) 2000-03-29 EP disclosed
EP-0706788-A1 Acid dye containing colorants KAO CORPORATION (JP) 1996-04-17 EP disclosed