SCHEMBL17444433

SCHEMBL17444433

CC(C)(C)NC(=O)OC[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PTGIR P43119 1/20 0.35
CHRM2 P08172 5/20 0.35
CHRM1 P11229 5/20 0.35
CHRM3 P20309 5/20 0.35
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NR1H2 P55055 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17444434 1.00 CNR2 (0.36) CNR2ACACBACACAPTGIRCHRM2
SCHEMBL25518973 0.93 CNR2 (0.40) CNR2ACACBACACAPTGIRCHRM2
SCHEMBL28097053 0.86 CNR2 (0.36) CNR2ACACBACACAPTGIRGBA1
SCHEMBL19267841 0.86 MEN1 (0.46) CNR2ACACBACACAMEN1MAPT
SCHEMBL25284961 0.86 MEN1 (0.42) CNR2ACACBACACAPTGIRGBA1
SCHEMBL1428636 0.85 CHRM3 (0.46) CHRM2CHRM1CHRM3HDAC3HDAC1
SCHEMBL27593051 0.85 PLG (0.39) CNR2ACACBACACAPTGIRGBA1
SCHEMBL27593235 0.85 CNR2 (0.36) CNR2ACACBACACAPTGIRMEN1
SCHEMBL27557065 0.85 MEN1 (0.37) CNR2GBA1MEN1MAPTKMT2A
SCHEMBL28255026 0.84 MEN1 (0.48) MEN1MAPTKMT2AATMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169368-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC Medshine Discovery Inc. (CN) 2017-05-24 EP disclosed
WO-2016008392-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2016-01-21 WO disclosed