SCHEMBL11243767

SCHEMBL11243767

CCCCC(CCCC)C(C)(N)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.45
CA2 P00918 7/20 0.41
CA1 P00915 4/20 0.41
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
OPRM1 P35372 1/20 0.33

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
SCHEMBL7928460 0.91 FDPS (0.52) FDPSCA2OPRM1
Hydrochloric Acid SCHEMBL5050291 0.89 FDPS (0.50) FDPSCA2OPRM1
Hydrochloric Acid SCHEMBL8098895 0.89 FDPS (0.50) FDPSCA2OPRM1
Hydrochloric Acid SCHEMBL28525297 0.89 FDPS (0.50) FDPSCA2OPRM1
Hydrochloric Acid SCHEMBL7879375 0.89 FDPS (0.50) FDPSCA2OPRM1
SCHEMBL29174029 0.82 FDPS (0.48) FDPSCA2CA1OPRM1
Acetic Acid SCHEMBL28670248 0.82 FDPS (0.49) FDPSCA2SLC1A2SLC1A1
Acetic Acid SCHEMBL28656012 0.82 FDPS (0.49) FDPSCA2SLC1A2SLC1A1
Propionic Acid SCHEMBL28650572 0.80 FDPS (0.47) FDPSSLC1A2SLC1A1
SCHEMBL2524016 0.79 CA2 (0.39) FDPSCA2CA1MAPK1SLC1A3

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
CN-103540250-A Coating compound for plastic KANSAI PAINT CO LTD 2014-01-29 CN disclosed
US-4324732-A IN PRESENCE OF TERITIARY ALIPHATIC AMINOALCOHOL AND/OR QUARTERNARY AMMONIUM COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed