SCHEMBL13897595

SCHEMBL13897595

COc1ccc(-c2ccc3ccccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.66
▸ ESR2 Q92731 3/20 0.66
▸ LTA4H P09960 7/20 0.61
▸ PSMB1 P20618 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ PSMB2 P49721 1/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GCGR P47871 1/20 0.48
▸ EBP Q15125 1/20 0.48
▸ SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL3866909 0.99 ESR1 (0.67) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL13897796 0.99 ESR1 (0.64) ESR1ESR2LTA4HPSMB1PSMB5
Hydrochloric Acid SCHEMBL3872526 0.98 ESR1 (0.66) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL6594554 0.95 ESR1 (0.71) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL13897814 0.90 ESR1 (0.74) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL13897645 0.90 ESR1 (0.74) ESR1ESR2LTA4HPSMB1PSMB5
Hydrochloric Acid SCHEMBL3861528 0.89 ESR1 (0.76) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL13897535 0.89 ESR1 (0.72) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7110626 0.89 ESR1 (0.59) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL13897593 0.88 ESR1 (0.69) ESR1ESR2LTA4HPSMB1PSMB5

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 2 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
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