SCHEMBL25834787

SCHEMBL25834787

COc1cc(Br)cc(C(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
NQO2 P16083 2/20 0.39
LPAR1 Q92633 1/20 0.38
ERN1 O75460 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL13993252 0.80 GABRA1 (0.61) GABRA1GABRB1POLBGAAGFER
SCHEMBL15525407 0.80 NQO2 (0.47) POLBNQO2ERN1ALOX15ALOX12
SCHEMBL13747710 0.80 GABRA1 (0.47) GABRA1GABRB1POLBGAAGFER
SCHEMBL18878389 0.78 GABRA1 (0.67) GABRA1GABRB1POLBGAAGFER
SCHEMBL19122094 0.78 POLB (0.43) POLBGAAGFERLPAR1ALDH1A1
SCHEMBL3640929 0.74 GABRA1 (0.54) GABRA1GABRB1POLBGAAGFER
SCHEMBL25197458 0.74 ERN1 (0.41) GABRA1GABRB1POLBGAAGFER
SCHEMBL6672627 0.74 NQO2 (0.47) POLBNQO2ERN1ALOX15ALOX12
SCHEMBL12561405 0.74 ALOX15 (0.50) POLBNQO2ERN1ALOX15ALOX12
SCHEMBL3917312 0.73 LPAR1 (0.49) GABRA1GABRB1POLBGAAGFER

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed