SCHEMBL24688809

SCHEMBL24688809

CC(=O)Oc1ccc(/C(=C(/c2ccccc2)C(C)C)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 9/20 0.54
▸ ESRRG P62508 17/20 0.50
▸ ESR1 P03372 5/20 0.47
▸ KCNH2 Q12809 4/20 0.47
▸ ELANE P08246 1/20 0.47
▸ ESRRA P11474 1/20 0.45

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
SCHEMBL24688547 0.93 ESRRG (0.49) ESRRBESRRGESR1KCNH2
SCHEMBL29968359 0.88 ESRRG (0.57) ESRRBESRRGESR1KCNH2ESRRA
SCHEMBL24688808 0.87 ESRRG (0.50) ESRRBESRRGESR1KCNH2
SCHEMBL24688923 0.83 ESRRG (0.65) ESRRBESRRGESR1KCNH2ESRRA
SCHEMBL24688561 0.83 ESRRG (0.51) ESRRBESRRGESR1KCNH2
SCHEMBL24688558 0.82 ESRRG (0.47) ESRRBESRRGESR1KCNH2ESRRA
SCHEMBL24688546 0.82 ESRRG (0.67) ESRRBESRRGESR1KCNH2
SCHEMBL24688812 0.81 ESRRG (0.50) ESRRBESRRGESR1KCNH2ESRRA
SCHEMBL24688913 0.81 ESRRG (0.57) ESRRBESRRGESR1KCNH2ESRRA
SCHEMBL24688811 0.81 ESRRG (0.50) ESRRBESRRGESR1KCNH2ESRRA

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-2022245124-A1 NOVEL ETHENE COMPOUND AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 재단법인 대구경북첨단의료산업진흥재단 2022-11-24 — — WO disclosed
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