SCHEMBL24505437

SCHEMBL24505437

CC(C)N1CC[C@@H](c2ccc(/C(=C(/CCCO)C3=CC=C[C@H](C)C3)c3cccc(O)c3)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.72
▸ ESRRB O95718 7/20 0.65
▸ ESR1 P03372 7/20 0.61
▸ KCNH2 Q12809 6/20 0.54

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
SCHEMBL24354524 0.85 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL20842220 0.85 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL24505466 0.82 ESRRG (0.72) ESRRGESRRBESR1KCNH2
SCHEMBL20842018 0.79 ESRRG (1.00) ESRRGESRRBESR1KCNH2
SCHEMBL20842043 0.77 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL21066254 0.76 ESRRG (0.81) ESRRGESRRBESR1KCNH2
SCHEMBL20842131 0.73 ESRRG (0.73) ESRRGESRRBESR1KCNH2
SCHEMBL21026512 0.73 ESRRG (0.87) ESRRGESRRBESR1KCNH2
SCHEMBL20842022 0.72 ESRRG (1.00) ESRRGESRRBESR1KCNH2
SCHEMBL20842127 0.71 ESRRG (0.98) ESRRGESRRBESR1KCNH2

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
EP-3480186-B1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO LTD (KR) 2022-06-15 — — EP disclosed
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