SCHEMBL3370322

SCHEMBL3370322

COC(=O)C12CCN3CCCC3CCCCCCC/C=C/N1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PKM P14618 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ OPRL1 P41146 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL5609602 0.88 KDM4E (0.44) PKMKCNH2MAPK1KDM4EALDH1A1
SCHEMBL3814163 0.85 KDM4E (0.38) KCNH2HRH3MAPK1KDM4ETDP1
SCHEMBL3375177 0.78 MMP1 (0.38) MMP1MMP9MMP13PKMKCNH2
SCHEMBL22688665 0.62 L3MBTL3 (0.42) KDM4ETDP1
SCHEMBL26630547 0.60 L3MBTL3 (0.41) KDM4ETDP1
SCHEMBL10641391 0.59 HRH3 (0.40) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL23334495 0.59 POLB (0.57) PKMKCNH2HRH3KDM4EALDH1A1
SCHEMBL21482489 0.59 POLB (0.57) PKMKCNH2HRH3KDM4EALDH1A1
SCHEMBL6032178 0.59 SMN1; SMN2 (0.62) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL20096193 0.58 HRH3 (0.46) KCNH2HRH3POLBSIGMAR1

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
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 — — EP disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
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