SCHEMBL26062800

SCHEMBL26062800

CC(C)OC[C@H]1CC[C@@H](COCCCC(=O)N[C@H]2CC[C@@H](C(=O)C(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.36
CNR1 P21554 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL26303631 1.00 CNR2 (0.36) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL25029992 0.94 DRD2 (0.33) CNR2CNR1SMN1; SMN2KMT2ASMYD3
SCHEMBL25029513 0.94 DRD2 (0.33) CNR2CNR1SMN1; SMN2KMT2ASMYD3
SCHEMBL25030380 0.94 DRD2 (0.33) CNR2CNR1SMN1; SMN2KMT2ASMYD3
SCHEMBL26204538 0.89 CNR2 (0.37) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL26303635 0.89 CNR2 (0.37) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL25029512 0.89 CNR2 (0.37) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL25029514 0.88 CNR2 (0.36) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL25029996 0.86 MAPT (0.30) MAPT
SCHEMBL26058591 0.86 MAPT (0.30) MAPT

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-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed