SCHEMBL25407239

SCHEMBL25407239

CC(C)(O)OC(C=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.42
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25407234 1.00 PGD (0.42) PGDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10768199 0.73
SCHEMBL3074157 0.72 SLC22A6 (0.41) PGDSLC22A6TDP1SMN1; SMN2
SCHEMBL9507774 0.70 PGD (0.36) PGDSLC22A6TDP1SMN1; SMN2
SCHEMBL16356425 0.68 PGD (0.36) PGDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17330921 0.67 PGD (0.37) PGDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL11140342 0.66 PGD (0.38) PGDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL8442869 0.66
SCHEMBL13409448 0.65 SLC22A6 (0.35) SLC22A6TDP1SMN1; SMN2
SCHEMBL17443150 0.64 PPARA (0.33)

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-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed