SCHEMBL10870476

SCHEMBL10870476

COCCOCCC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CTNNB1 P35222 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ MME P08473 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL10868446 0.86 HRH4 (0.49) TDP1CTNNB1HRH4SLC1A3SLC1A2
SCHEMBL10522072 0.85 HRH4 (0.50) TDP1CTNNB1HRH4SLC1A3SLC1A2
SCHEMBL10871839 0.81 TDP1 (0.46) TDP1KDM4EALDH1A1CTNNB1L3MBTL1
SCHEMBL6677809 0.79 CTNNB1 (0.63) TDP1CTNNB1HRH4SLC1A3SLC1A2
SCHEMBL9556717 0.77 CTNNB1 (0.48) TDP1CTNNB1HRH4L3MBTL1SLC1A3
SCHEMBL7353938 0.77 CTNNB1 (0.48) TDP1CTNNB1HRH4L3MBTL1SLC1A3
SCHEMBL3814684 0.77 CTNNB1 (0.56) TDP1CTNNB1HRH4SLC1A3SLC1A2
SCHEMBL10477661 0.76 CTNNB1 (0.50) TDP1KDM4EALDH1A1CTNNB1HRH4
SCHEMBL10389712 0.76 CTNNB1 (0.50) TDP1CTNNB1HRH4SLC1A3SLC1A2
SCHEMBL7280245 0.76 CTNNB1 (0.52) TDP1CTNNB1HRH4SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 — — EP disclosed
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