SCHEMBL3770969

SCHEMBL3770969

CC(C)CCCC(N)(CCCCCN)CCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
DNM1 Q05193 5/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 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
SCHEMBL3853313 0.86 LMNA (0.43) LMNAMEN1KMT2AALOX15TRPV1
SCHEMBL1627722 0.86 LMNA (0.43) LMNAMEN1KMT2AALOX15TRPV1
SCHEMBL9328437 0.81 DNM1 (0.33) DNM1CA12CA1CA2CA3
SCHEMBL20425510 0.81 DNM1 (0.53) FDPSDNM1CA12CA1CA2
SCHEMBL30365998 0.80 SPHK1 (0.33) FDPSLMNA
SCHEMBL27735319 0.80 DNM1 (0.36) FDPSDNM1CA12CA1CA2
SCHEMBL10799178 0.80 DNM1 (0.36) FDPSDNM1CA12CA1CA2
SCHEMBL18627989 0.79 LMNA (0.36) LMNABLMMEN1KMT2AALOX15
SCHEMBL238797 0.78 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL19946200 0.78 DNM1 (0.50) DNM1CA12CA1CA2CA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed