SCHEMBL7529231

SCHEMBL7529231

COc1ccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
LTA4H P09960 5/20 0.55
ESR1 P03372 7/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
ESR2 Q92731 6/20 0.46
MCHR1 Q99705 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PSMB2 P49721 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
SCHEMBL3861283 0.99 EBP (0.58) EBPSIGMAR1LTA4HESR1KCNH2
SCHEMBL7110375 0.91 EBP (0.56) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL7524285 0.91 EBP (0.65) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL13897766 0.91 EBP (0.65) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL13897747 0.90 EBP (0.66) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL7521111 0.89 EBP (0.70) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL3975634 0.88 EBP (0.72) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL9055095 0.88 LTA4H (0.56) EBPSIGMAR1LTA4HESR1KCNH2
SCHEMBL7110262 0.87 LTA4H (0.57) EBPSIGMAR1LTA4HESR1HRH3
SCHEMBL3869661 0.86 EBP (0.58) EBPSIGMAR1ESR1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501441-B1 Naphthyl compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 2009-03-10 US disclosed
US-7501441-B1 Naphthyl compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 2009-03-10 US disclosed
EP-0832883-B1 Tetrahydrobenzo(a)fluorene compounds and methods of use LILLY CO ELI (US) 2002-04-03 EP disclosed
US-5821253-A INHIBIT BONE LOSS OR RESORPTION, LOWER SERUM CHOLESTEROL LEVELS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
EP-0832883-A1 Tetrahydrobenzo(a)fluorene compounds and methods of use ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed