SCHEMBL26023282

SCHEMBL26023282

CCC(COC)NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 2/20 0.36
CNR2 P34972 1/20 0.35
TLR2 O60603 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 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
SCHEMBL25587276 0.85 CA1 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL25587273 0.85 CA1 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL25587274 0.85 CA1 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL12788565 0.83 CA12 (0.46) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL16638817 0.78 CTSK (0.45) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL13888611 0.78 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL25590147 0.78 TDP1 (0.43) CA1CA2CA12MMP1MMP2
SCHEMBL12443569 0.78 TDP1 (0.43) CA1CA2CA12MMP1MMP2
SCHEMBL17506705 0.78 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL25590146 0.78 TDP1 (0.43) CA1CA2CA12MMP1MMP2

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
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed