SCHEMBL25824938

SCHEMBL25824938

CC(C)(C)OC(=O)N[C@@H]1CCOc2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CTSD P07339 6/20 0.39
BACE1 P56817 6/20 0.39
TRPV1 Q8NER1 4/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
NQO2 P16083 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4D Q6B0I6 1/20 0.36

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
SCHEMBL28757650 0.89 CTSD (0.36) GAACTSDBACE1NQO2SIRT2
SCHEMBL4146006 0.87 AAK1 (0.41) GAACTSDBACE1TRPV1SIRT2
SCHEMBL8122445 0.87 TRPV1 (0.48) CTSDBACE1TRPV1KDM4D
SCHEMBL8279283 0.87 GAA (0.40) GAACTSDBACE1TRPV1BRD4
SCHEMBL8276392 0.87 GAA (0.40) GAACTSDBACE1TRPV1BRD4
SCHEMBL12709612 0.87 TRPV1 (0.45) GAACTSDBACE1TRPV1
SCHEMBL803760 0.86 GAA (0.39) GAACTSDBACE1TRPV1NFKB1
SCHEMBL4135566 0.85 KDM4E (0.40) GAACTSDBACE1TRPV1BRD4
SCHEMBL12731042 0.85 CTSD (0.45) GAACTSDBACE1TRPV1BRD4
SCHEMBL803515 0.85 KDM4D (0.43) GAACTSDBACE1TRPV1NFKB1

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-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed