SCHEMBL11181985

SCHEMBL11181985

O=C(C1=C(c2ccccc2)CCc2cc(O)ccc21)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.98

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.98
ESR2 Q92731 13/20 0.98
LTA4H P09960 1/20 0.57
EBP Q15125 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MCHR1 Q99705 1/20 0.53
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52

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
SCHEMBL11188187 0.94 ESR1 (0.98) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7111413 0.94 ESR1 (0.86) ESR1ESR2LTA4HMCHR1PSMB1
SCHEMBL7108582 0.93 ESR1 (0.88) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL14078413 0.90 ESR1 (0.90) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL3870779 0.90 ESR1 (0.80) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL4660156 0.89 ESR1 (0.79) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL11185809 0.89 ESR1 (0.82) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL11184215 0.89 ESR1 (0.79) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL3870510 0.89 ESR1 (0.82) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL7111304 0.89 ESR1 (0.82) ESR1ESR2LTA4HMCHR1PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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