SCHEMBL30957745

SCHEMBL30957745

O=C(O)Oc1ccc2c(c1)C(c1ccc(OC3CCN(CCCF)C3)cc1)=C(Br)CC2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.63
AGTR2 P50052 1/20 0.52
ESR2 Q92731 1/20 0.51

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
SCHEMBL29243200 1.00 ESR1 (0.63) ESR1AGTR2ESR2
SCHEMBL29243199 1.00 ESR1 (0.63) ESR1AGTR2ESR2
SCHEMBL29243198 0.94 ESR1 (0.64) ESR1AGTR2
SCHEMBL20165083 0.88 ESR1 (0.80) ESR1
SCHEMBL20165080 0.88 ESR1 (0.80) ESR1
SCHEMBL29243195 0.88 ESR1 (0.83) ESR1
SCHEMBL23335761 0.86 ESR1 (0.61) ESR1AGTR2
SCHEMBL19131916 0.86 ESR1 (0.63) ESR1AGTR2
SCHEMBL31739214 0.86 ESR1 (0.63) ESR1AGTR2
SCHEMBL24022240 0.86 ESR1 (0.63) ESR1AGTR2

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
CN-118255703-A Preparation method of estrogen receptor degradation agent 南京医科大学 2024-06-28 CN disclosed