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Sugi Predict / Compounds / SCHEMBL7535261

SCHEMBL7535261

SCHEMBL7535261

COc1cc(OC)c2c(c1)-c1ccc3ccccc3c1C2c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.57
▸ ESR2 Q92731 9/20 0.57
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PTPN1 P18031 3/20 0.45
▸ ACHE P22303 1/20 0.44

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
SCHEMBL7532152 0.99 ESR1 (0.56) ESR1ESR2KCNH2HRH3PTPN1
SCHEMBL7527322 0.92 ESR1 (0.61) ESR1ESR2ACHE
SCHEMBL7527242 0.87 ESR1 (0.66) ESR1ESR2KCNH2HRH3
SCHEMBL7526114 0.86 ESR1 (0.63) ESR1ESR2KCNH2HRH3PTPN1
SCHEMBL7533378 0.86 ESR1 (0.65) ESR1ESR2KCNH2HRH3
SCHEMBL8965793 0.86 ESR1 (0.68) ESR1ESR2KCNH2HRH3
SCHEMBL8966242 0.86 ESR1 (0.68) ESR1ESR2KCNH2HRH3
SCHEMBL7530403 0.85 ESR1 (0.61) ESR1ESR2KCNH2HRH3PTPN1
SCHEMBL7528581 0.85 ESR1 (0.41) ESR1ESR2KCNH2HRH3
SCHEMBL8966126 0.85 ESR1 (0.66) ESR1ESR2KCNH2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832881-B1 Benzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-04-03 — — EP disclosed
EP-0832881-A2 Benzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 — — EP disclosed