SCHEMBL3976908

SCHEMBL3976908

COc1ccc(C(=O)C2=C(c3ccccc3)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
ESR2 Q92731 2/20 0.55
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
MIF P14174 1/20 0.45
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALPL P05186 1/20 0.45
CLK1 P49759 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL3861662 0.94 ESR1 (0.60) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL3862097 0.94 ESR1 (0.52) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7111266 0.92 ESR1 (0.47) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7946063 0.90 ESR1 (0.49) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL11187364 0.89 ESR1 (0.55) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL6135986 0.89 ESR1 (0.58) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7107480 0.88 ESR1 (0.46) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7108932 0.86 ESR1 (0.52) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7942835 0.86 ALDH1A1 (0.46) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL7111006 0.86 MAPT (0.51) ESR1ESR2MAPTSMN1; SMN2NPC1

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 7 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-6437137-B1 REDUCING (NAPHTHALEN-1-YL)(4-(2-(1-PIPERDINYL)ETHOXY) PHENYL)METHANONE WITH A REDUCING AGENT IN THE PRESENCE OF A SOLVENT, HEATING TO REFLUX; FORMING (NAPHTHALEN-1-YL)(4-(2-(1-PIPERDINYL)ETHOXY)PHENYL)METHANE ELI LILLY AND COMPANY 2002-08-20 US disclosed
EP-0702961-B1 Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs LILLY CO ELI (US) 2002-07-24 EP disclosed
US-5658931-A ADMINISTERING A MIXTURE OF ANTIESTROGENS ELI LILLY AND COMPANY (US) 1997-08-19 US disclosed
US-5554628-A A 1-(4-ALKOXYPHENYL-)NAPHTHALENE COMPOUND ELI LILLY AND COMPANY (US) 1996-09-10 US disclosed
EP-0702962-A2 Preparations for inhibiting mammalian breast carcinoma with tamoxifen and analogs thereof, and certain naphthyl compounds ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
EP-0702961-A2 Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed