SCHEMBL20978409

SCHEMBL20978409

CN1CCC(c2ccc(/C(C3=CC(O)CC=C3)=C(/CCCO)c3ccccc3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.63
▸ ESRRB O95718 11/20 0.57
▸ ESR1 P03372 9/20 0.57
▸ KCNH2 Q12809 2/20 0.56
▸ ESRRA P11474 1/20 0.52

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
SCHEMBL20842143 0.81 ESRRG (0.76) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20842127 0.78 ESRRG (0.98) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20978454 0.77 ESRRG (0.69) ESRRGESRRBESR1KCNH2
SCHEMBL20842090 0.75 ESRRG (0.53) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20978547 0.73 ESRRG (0.53) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL24505371 0.73 ESRRG (0.70) ESRRGESRRBESR1KCNH2
SCHEMBL20842049 0.73 ESRRG (0.58) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20842022 0.73 ESRRG (1.00) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20842122 0.72 ESRRG (0.98) ESRRGESRRBESR1KCNH2ESRRA
SCHEMBL20842031 0.71 ESRRG (0.98) ESRRGESRRBESR1KCNH2ESRRA

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-A1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Kemimedi Co. Ltd (KR) 2019-05-08 — — EP disclosed
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