SCHEMBL26529048

SCHEMBL26529048

CCOC(=O)C(C)CNC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL11382469 0.85 MMP8 (0.38) MMP8MGAMGAASIMGAM2
SCHEMBL26529680 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL26529454 0.79 GAA (0.44) MMP8MGAMGAASIMGAM2
SCHEMBL14102105 0.77 GAA (0.42) MMP8MGAMGAASIMGAM2
SCHEMBL25543898 0.76 ADRB2 (0.36) ADRB2ADRB1ADRB3
SCHEMBL12150025 0.75 CYP2C19 (0.54) MMP8MGAMGAASIMGAM2
SCHEMBL26529043 0.75 GAA (0.41) ADRB2ADRB1ADRB3MGAMGAA
SCHEMBL28220300 0.74 CYP1A2 (0.44) GAA
SCHEMBL8465153 0.74 CYP1A2 (0.44) GAA
SCHEMBL6224692 0.74 CYP1A2 (0.44) GAA

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
US-20230321591-A1 Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations BATTELLE MEMORIAL INSTITUTE 2023-10-12 US disclosed
WO-2023192410-A1 BETA-AMINO CARBOXYLATE (BAC) SOLVENTS FOR ENHANCED CO2 SEPARATIONS BATTELLE MEMORIAL INSTITUTE (US) 2023-10-05 WO disclosed