SCHEMBL25426319

SCHEMBL25426319

NC1CC2CC[C@@H](C1)N2S(=O)(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 6/20 0.42
ESR1 P03372 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
DHCR7 Q9UBM7 1/20 0.38
NAMPT P43490 1/20 0.37
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL25426315 1.00 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25315976 1.00 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25890398 1.00 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25315988 1.00 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25317874 1.00 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL30534577 0.91 ALDH1A1 (0.42) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25317238 0.84 ALDH1A1 (0.41) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25317014 0.84 ALDH1A1 (0.43) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25316554 0.83 PTGDR2 (0.41) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25891914 0.82 PTGDR2 (0.41) ALDH1A1HSD11B1ESR1LMNASMN1; SMN2

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
EP-4469155-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF Biogen MA Inc. (US) 2024-12-04 EP disclosed
WO-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed