SCHEMBL27413340

SCHEMBL27413340

CC(C)CCCNCCCC(C)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CA12 O43570 5/20 0.36
CA6 P23280 5/20 0.36
CA7 P43166 5/20 0.36
CA9 Q16790 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA5B Q9Y2D0 5/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA5A P35218 4/20 0.36
CA3 P07451 3/20 0.36
ALOX15 P16050 3/20 0.35
CASP2 P42575 2/20 0.35
MEN1 O00255 2/20 0.35
F13A1 P00488 2/20 0.35
CYP1A2 P05177 2/20 0.35
THPO P40225 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL198494 0.86 CA12 (0.52) LMNACA12CA6CA7CA9
SCHEMBL31091970 0.84 CA12 (0.42) LMNACA12CA6CA7CA9
SCHEMBL17444939 0.83 CA12 (0.55) LMNACA12CA6CA7CA9
SCHEMBL21925755 0.83 LMNA (0.63) LMNAALOX15MEN1KMT2ABLM
SCHEMBL20912433 0.83 LMNA (0.63) LMNAALOX15MEN1KMT2ABLM
SCHEMBL9945681 0.83 LMNA (0.63) LMNAALOX15MEN1KMT2ABLM
SCHEMBL277921 0.83 LMNA (0.45) LMNACA12CA6CA7CA9
SCHEMBL18405505 0.82 CYP2C19 (0.46) CA12CA6CA7CA9CA14
Norspermidine SCHEMBL1741553 0.82 CA12 (0.52) LMNACA12CA6CA7CA9
SCHEMBL12335787 0.81 CA12 (0.57) LMNACA12CA6CA7CA9

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
CN-1120557-A Aqueous synthetic resin dispersion HOECHST AG (DE) 1996-04-17 CN disclosed
CN-1103072-A Solvent-free agueous synthetic-resin dispersion HOECHST AG (DE) 1995-05-31 CN disclosed
CN-1098120-A Aqueous synthetic resin dispersion HOECHST AG (DE) 1995-02-01 CN disclosed