SCHEMBL8670495

SCHEMBL8670495

c1cc(CCc2ccoc2)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ HPGD P15428 2/20 0.38
▸ CETP P11597 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ SULT1E1 P49888 1/20 0.37
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ LTA4H P09960 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ FAAH O00519 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL2008986 0.84 — —
SCHEMBL8198507 0.84 — —
SCHEMBL356407 0.84 — —
SCHEMBL7341457 0.84 — —
SCHEMBL11453935 0.84 — —
SCHEMBL2008989 0.84 — —
SCHEMBL983235 0.84 — —
SCHEMBL1191598 0.84 — —
SCHEMBL826916 0.82 — —
SCHEMBL25162160 0.80 — —

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-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 — — US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 — — EP disclosed
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