SCHEMBL31055879

SCHEMBL31055879

O=C(O)c1ccc(OCc2ccccc2)c(C2OCCO2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.46
PTGER1 P34995 9/20 0.46
XDH P47989 1/20 0.43
FOLH1 Q04609 1/20 0.40
TBXA2R P21731 1/20 0.40
MCL1 Q07820 1/20 0.39
CA9 Q16790 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL31055931 0.88 NOTUM (0.41) CA9
SCHEMBL24228003 0.81 CCR5 (0.40)
SCHEMBL30443750 0.81 CCR5 (0.40)
SCHEMBL25221217 0.78 SMN1; SMN2 (0.36)
SCHEMBL30503320 0.77 LTA4H (0.42) CA9
SCHEMBL25270307 0.77 LTA4H (0.42) CA9
SCHEMBL26193704 0.77 HTR2C (0.39) CA9
SCHEMBL31056151 0.77 P4HTM (0.48) P4HTMPTGER1FOLH1MCL1
SCHEMBL24227994 0.76 LTA4H (0.39) CA9
SCHEMBL25269143 0.76 MAPT (0.34) CA9

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed