SCHEMBL4055655

SCHEMBL4055655

CC(C)(O)CN1C=CCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM1 P11229 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3714616 0.78 ALDH1A1 (0.39) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL10760096 0.78 NPC1 (0.36) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL1559313 0.76 CCR1 (0.35) RAB9ACHRM1
SCHEMBL2734403 0.75 NPC1 (0.37) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL3373922 0.75 MEN1 (0.35) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL9008263 0.75 ALDH1A1 (0.42) MEN1KMT2ACHRM1ALDH1A1POLB
SCHEMBL4210086 0.74 PTGS1 (0.45) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL10401677 0.73 ALDH1A1 (0.33) MEN1KMT2ANPC1MITFRAB9A
SCHEMBL18926950 0.73 SLC6A2 (0.36) MEN1KMT2ACHRM1ALDH1A1POLB
SCHEMBL8448450 0.73 HTR2A (0.40) MEN1KMT2ACHRM1ALDH1A1SCN9A

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
EP-1599726-A4 SELECTIVE MODULATION OF TLR-MEDIATED BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
EP-1599726-A2 SELECTIVE MODULATION OF TLR-MEDIATED BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2005-11-30 EP disclosed
WO-2004075865-A2 SELECTIVE MODULATION OF TLR-MEDIATED BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-10 WO disclosed