SCHEMBL24354543

SCHEMBL24354543

CC(C)N1CCC(C2=CC=C(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.70
▸ ESRRB O95718 7/20 0.70
▸ ESR1 P03372 7/20 0.59
▸ KCNH2 Q12809 5/20 0.59

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
SCHEMBL20978508 0.86 ESRRG (0.71) ESRRGESRRBESR1KCNH2
SCHEMBL21026512 0.83 ESRRG (0.87) ESRRGESRRBESR1KCNH2
SCHEMBL20842018 0.82 ESRRG (1.00) ESRRGESRRBESR1KCNH2
SCHEMBL20842220 0.79 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL24354524 0.79 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL20842250 0.78 ESRRG (0.51) ESRRGESRRBESR1KCNH2
SCHEMBL20978576 0.78 ESRRG (0.69) ESRRGESRRBESR1KCNH2
SCHEMBL21026511 0.77 ESRRG (0.85) ESRRGESRRBESR1KCNH2
SCHEMBL21026513 0.75 ESRRG (0.98) ESRRGESRRBESR1KCNH2
SCHEMBL24354544 0.75 ESRRG (0.64) 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-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 — — EP disclosed
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