SCHEMBL3278944

SCHEMBL3278944

CCCNC(CCC)=C(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
EPHX1 P07099 2/20 0.35
PAOX Q6QHF9 1/20 0.34
CASP2 P42575 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL28690234 0.86 HDAC3 (0.38) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL9113646 0.86 MMP1 (0.38) CTSDMMP1MMP2MMP3MMP9
SCHEMBL4860585 0.86 HDAC3 (0.38) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL1846394 0.85 CASP2 (0.55) EPHX1CASP2
SCHEMBL3922639 0.79 HDAC3 (0.39) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL28704392 0.79 HDAC3 (0.39) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL10885615 0.78 MEN1 (0.40) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL8601955 0.78 MEN1 (0.40) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL18579302 0.78 FAAH (0.45) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL31490608 0.74 HDAC3 (0.35) CTSDHDAC3HDAC1HDAC2HDAC8

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
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed