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SCHEMBL31395247

SCHEMBL31395247

COC(=O)c1ccc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.49
▸ SLC6A3 Q01959 6/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL19230616 0.85 ESR2 (0.65) ESR1ESR2ALDH1A1
SCHEMBL19230614 0.84 ESR1 (0.50) ESR1ESR2
SCHEMBL19230623 0.82 ESR1 (0.45) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL19230789 0.81 ESR1 (0.39) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL19230687 0.80 ESR1 (0.46) ESR1ESR2
SCHEMBL19230656 0.80 ESR1 (0.49) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL19230310 0.80 ESR1 (0.49) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL19230805 0.80 ESR1 (0.49) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL11232934 0.78 ESR1 (0.54) SLC6A4SLC6A3SLC6A2ESR1ESR2
SCHEMBL31395030 0.78 ESR1 (0.51) SLC6A4SLC6A3SLC6A2ESR1ESR2

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-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed