SCHEMBL24925945

SCHEMBL24925945

CS(C)(C)C#Cc1ccc(C#CCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 3/20 0.47
GRM5 P41594 1/20 0.43
SIGMAR1 Q99720 5/20 0.39
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL24922969 0.83 FFAR1 (0.50) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL28585298 0.82 FFAR1 (0.51) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL30104886 0.80 FFAR1 (0.48) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL7504948 0.80 FFAR1 (0.61) FFAR1FFAR4GRM5SIGMAR1MMP2
SCHEMBL37703522 0.79 GRM5 (0.49) FFAR1FFAR4GRM5SIGMAR1MMP2
SCHEMBL27508668 0.78 FFAR1 (0.46) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL29187194 0.77 GRM5 (0.54) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL16010836 0.77 FFAR1 (0.55) FFAR1FFAR4GRM5
SCHEMBL26868265 0.76 PTGS2 (0.47)
SCHEMBL21163945 0.75 FFAR1 (0.49) FFAR1FFAR4GRM5

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-2023006938-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES AND MEDICAL USES THEREOF GUERBET (FR) 2023-02-02 WO disclosed