SCHEMBL18937698

SCHEMBL18937698

CC(C)(C)OC(=O)N1CCCC(Nc2ccc(O)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.49
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PARP1 P09874 1/20 0.45
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
GABRA5 P31644 1/20 0.44
HPGDS O60760 1/20 0.44
PIK3CD O00329 1/20 0.44
BTK Q06187 2/20 0.44
ANO1 Q5XXA6 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28679080 0.88 USP30 (0.48) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL28679078 0.88 USP30 (0.48) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL529396 0.88 USP30 (0.49) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL29518151 0.88 USP30 (0.48) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL889050 0.88 FPR2 (0.53) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL1030155 0.88 FPR2 (0.53) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL19749791 0.87 ALDH1A1 (0.54) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL2419028 0.86 ALDH1A1 (0.57) USP30DDB1CRBNJAK1ALDH1A1
SCHEMBL27696270 0.86 USP30 (0.48) USP30HDAC4HDAC6DDB1CRBN
SCHEMBL1120230 0.85 CYP3A4 (0.52) USP30PIK3CD

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
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed