SCHEMBL27437657

SCHEMBL27437657

C=CCC(C)CCC(O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
MAPT P10636 1/20 0.38
GABRR1 P24046 2/20 0.38
LMNA P02545 1/20 0.38
MMP12 P39900 5/20 0.33
MMP13 P45452 5/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BHMT Q93088 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL21930480 0.80
SCHEMBL21930775 0.80
SCHEMBL6076325 0.80
SCHEMBL27437432 0.78 GAA (0.34)
SCHEMBL4514526 0.78
SCHEMBL666939 0.78
SCHEMBL3963224 0.78
SCHEMBL22500674 0.76 ACE2 (0.47) GABRR1BHMT
SCHEMBL667730 0.76 GPR84 (0.53) GPR84SLC22A6MAPTGABRR1LMNA
SCHEMBL4744418 0.76 GPR84 (0.53) GPR84SLC22A6MAPTGABRR1LMNA

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-2024119114-A1 CHEMOENZYMATIC SYNTHESIS OF POLYKETIDES ASPERA BIOMEDICINES, INC. (US) 2024-06-06 WO disclosed