SCHEMBL13970072

SCHEMBL13970072

O=C1C2CCCC2C(c2ccc(O)cc2)C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 14/20 0.44
▸ ESR1 P03372 12/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29089151 0.76 MEN1 (0.49) ESR2ESR1MEN1KMT2A
SCHEMBL11850583 0.70 TP53 (0.42) L3MBTL1MEN1KMT2A
SCHEMBL25097790 0.68 CA3 (0.53) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL7892479 0.68 TP53 (0.46) L3MBTL1MEN1KMT2A
SCHEMBL15580875 0.66 SMN1; SMN2 (0.58) MEN1KMT2A
SCHEMBL11865942 0.66 ESR2 (0.52) ESR2ESR1MEN1KMT2A
SCHEMBL16689762 0.66 SMN1; SMN2 (0.58) MEN1KMT2A
SCHEMBL10678658 0.65 SLC6A3 (0.52) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL10678669 0.65 SLC6A3 (0.52) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL10678651 0.65 SLC6A3 (0.52) ESR2ESR1MEN1KMT2AKDM4E

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-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 — — WO disclosed
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