SCHEMBL7523729

SCHEMBL7523729

CCN(CC)CCOc1ccc(C(=O)C2=C(c3ccc(OC)cc3)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.54
ESR1 P03372 3/20 0.52
ESR2 Q92731 2/20 0.52
MIF P14174 1/20 0.46
MAPT P10636 1/20 0.43
CHRNA7 P36544 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL4653145 0.90 MCHR1 (0.54) MCHR1ESR1ESR2BCHEACHE
SCHEMBL3886456 0.90 ESR1 (0.54) MCHR1ESR1ESR2BCHEEBP
SCHEMBL3861641 0.88 ESR1 (0.55) MCHR1ESR1ESR2MAPTKMT2A
SCHEMBL3862097 0.85 ESR1 (0.52) ESR1ESR2MAPTKMT2A
SCHEMBL11182168 0.85 ESR1 (0.68) ESR1ESR2MIFBCHEACHE
SCHEMBL13899516 0.85 ESR1 (0.52) MCHR1ESR1ESR2MAPTKMT2A
SCHEMBL11182261 0.83 ESR1 (0.54) MCHR1ESR1ESR2MIFBCHE
SCHEMBL9054865 0.82 ESR1 (0.60) ESR1ESR2MIFMAPTEBP
SCHEMBL11186217 0.82 ESR1 (0.77) MCHR1ESR1ESR2EBPSIGMAR1
SCHEMBL6135986 0.81 ESR1 (0.58) ESR1ESR2MIFMAPTKMT2A

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
EP-0703228-B1 Naphthyl compounds, intermediates, processes, compositions involving them LILLY CO ELI (US) 2002-03-06 EP disclosed
US-4400543-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1983-08-23 US disclosed
US-4323707-A USEFUL FOR AMIMALS, AROYL-PHENYL-NAPHTHALENES OR DIHYDRONAPHTHALENES ELI LILLY AND COMPANY (US) 1982-04-06 US disclosed
US-4230862-A 3-PHENYL-4-AROYL-1,2-DIHYDRONAPHTHALENES AND 1-ARYOYL-2-PHENYLNAPHTHALENES ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed