SCHEMBL9079671

SCHEMBL9079671

CC(C)(C)OC(=O)C(Br)CCCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.46
CPB2 Q96IY4 6/20 0.45
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GSR P00390 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
PAOX Q6QHF9 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 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
SCHEMBL27905397 1.00 ZDHHC7 (0.46) ZDHHC7CPB2LCKPPARDZDHHC20
SCHEMBL1286840 0.85 NOS1 (0.36) ZDHHC7CPB2NOS1NOS3NOS2
SCHEMBL9697068 0.84 ZDHHC7 (0.66) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7894283 0.82 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10068415 0.82 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL29772196 0.82 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8785206 0.81 ZDHHC7 (0.39) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2567893 0.81 CPB2 (0.46) CPB2GSRRNPEPPAOXGNAI3
SCHEMBL1309368 0.81 GSR (0.50) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL1309450 0.81 GSR (0.50) CPB2GSRGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661653-A CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-03-21 CN disclosed
CN-112673015-B CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-01-07 CN disclosed
CN-112673015-A CXCR 4-targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2021-04-16 CN disclosed
WO-1996035686-A1 TRYPTAMINE DERIVATIVES, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1996-11-14 WO disclosed