SCHEMBL8469892

SCHEMBL8469892

NC(CO)CCCCNCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CYP1A2 P05177 3/20 0.32
THPO P40225 3/20 0.32
F13A1 P00488 2/20 0.32
ALOX15 P16050 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP2 P42575 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8214229 0.89 CA2 (0.33) CA12CA2CA9CA1CYP1A2
SCHEMBL24660876 0.89 CA2 (0.33) CA12CA2CA9CA1CYP1A2
SCHEMBL1131594 0.87 LMNA (0.37) CYP1A2THPOMEN1KMT2AHSD17B10
SCHEMBL8358187 0.87 LMNA (0.37) CYP1A2THPOMEN1KMT2AHSD17B10
SCHEMBL1132545 0.87 LMNA (0.37) CYP1A2THPOMEN1KMT2AHSD17B10
SCHEMBL1131550 0.87 LMNA (0.37) CYP1A2THPOMEN1KMT2AHSD17B10
SCHEMBL28871192 0.87 LMNA (0.37) CYP1A2THPOMEN1KMT2AHSD17B10
SCHEMBL8040300 0.84
SCHEMBL1132232 0.84
SCHEMBL16393049 0.84

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
EP-0836629-A4 AQUEOUS COATING COMPOSITION LINE PRODUCTS CORP A (US) 1999-03-24 EP disclosed
EP-0836629-A1 AQUEOUS COATING COMPOSITION A-LINE PRODUCTS CORPORATION (US) 1998-04-22 EP disclosed