SCHEMBL4029465

SCHEMBL4029465

CC1(C)CCC(C(C(=O)NC2CCCCC2)N(CC(=O)O)C(=O)C(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
ACKR3 P25106 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 5/20 0.37
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37
GABRA3 P34903 5/20 0.37
GABRA2 P47869 5/20 0.37
GABRB2 P47870 5/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3943978 0.93 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3942490 0.93 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3944015 0.93 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL3941454 0.93 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4197663 0.93 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4029173 0.88 MAPT (0.47) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL4208314 0.86 RAB9A (0.50) RAB9ANPC1HDAC1HDAC6MEN1
SCHEMBL4206843 0.86 RAB9A (0.48) RAB9ANPC1HDAC1HDAC6ACKR3
SCHEMBL4212851 0.85 RAB9A (0.49) RAB9ANPC1HDAC1HDAC6MEN1
SCHEMBL3941064 0.85 RAB9A (0.57) RAB9ANPC1HDAC1HDAC6ACKR3

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-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed