SCHEMBL27878253

SCHEMBL27878253

Oc1ccccc1C1(c2ccc(OCCN3CCCCC3)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 3/20 0.56
▸ PSMB5 P28074 3/20 0.56
▸ PSMB2 P49721 2/20 0.56
▸ LTA4H P09960 7/20 0.50
▸ HRH3 Q9Y5N1 7/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48

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
SCHEMBL13279099 0.89 ESR1 (0.58) PSMB1PSMB5PSMB2LTA4HESR1
SCHEMBL27895118 0.80 PDK2 (0.48) ESR1ESR2
SCHEMBL27878251 0.79 PDK2 (0.49) LTA4HESR1ESR2
SCHEMBL27878248 0.77 CA12 (0.48) LTA4H
SCHEMBL27878343 0.76 PDK2 (0.47) LTA4HESR1ESR2
SCHEMBL27878250 0.73 CA12 (0.42) ESR1ESR2
SCHEMBL27895119 0.72 TDP1 (0.50) ESR1ESR2
SCHEMBL699174 0.72 ESR1 (0.76) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL1359959 0.72 ESR1 (0.76) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL3951411 0.72 LTA4H (0.83) PSMB1PSMB5PSMB2LTA4HHRH3

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-102727470-A Application of fluorene-9-bisphenol and its derivative in preparation of medicine for preventing and treating cancer UNIV BEIJING 2012-10-17 — — CN disclosed
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