SCHEMBL12696512

SCHEMBL12696512

CCCNC(=O)C(C)(C)OCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.35
▸ MMP8 P22894 1/20 0.32
▸ EPHX1 P07099 3/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL20470500 0.79 ALDH1A1 (0.33) CHRNB2CHRNA4MMP8EPHX2
SCHEMBL12696511 0.78 TSHR (0.41) HPGD
SCHEMBL22667335 0.77 EPHX2 (0.33) MMP8EPHX2CTSK
SCHEMBL21505435 0.77 MMP8 (0.34) MMP8MMP1MMP2EPHX2
SCHEMBL20470497 0.77 MMP1 (0.37) MMP8EPHX1MMP1MMP2MMP3
SCHEMBL23996139 0.73 CCR5 (0.32) CNR1CNR2
SCHEMBL17035953 0.72 ALDH1A1 (0.37) EPHX2
SCHEMBL24433088 0.72 ACHE (0.40) EPHX1ACHE
SCHEMBL24121228 0.71 USP2 (0.34) EPHX1CNR1CNR2ACHE
SCHEMBL24729239 0.71 HTT (0.38) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2

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
WO-2012127698-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2012-09-27 — — WO disclosed
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