SCHEMBL641328

SCHEMBL641328

CCCC(NCC(C)C)=C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
EPHX1 P07099 1/20 0.40
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL639470 0.89 EPHX1 (0.45) CYP2C19CYP2D6EPHX1MMP1MMP8
SCHEMBL642266 0.85 CYP2C19 (0.50) CYP2C19CYP2D6EPHX1MMP1MMP8
SCHEMBL8507231 0.80 FNTA (0.39) MMP1MMP8THRBFNTAFNTB
SCHEMBL432886 0.76 CASP2 (0.46) EPHX1THRBFNTAFNTBPGGT1B
SCHEMBL2497942 0.74 FNTA (0.35) THRBFNTAFNTBPGGT1BALDH1A1
SCHEMBL1053072 0.74 HDAC3 (0.41) THRBFNTAFNTBPGGT1BALDH1A1
SCHEMBL18229223 0.73 POLB (0.41) CYP2C19THRBFNTAFNTBPGGT1B
SCHEMBL18579741 0.73 FAAH (0.46) MAPTTHRBFNTAFNTBPGGT1B
SCHEMBL2604889 0.71 CYP2D6 (0.52) CYP2C19CYP2D6EPHX1MMP1MMP8
SCHEMBL1143033 0.69 FNTA (0.37) EPHX1THRBFNTAFNTBPGGT1B

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-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US claimed
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US disclosed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US disclosed