SCHEMBL2832679

SCHEMBL2832679

CCP(=O)(OC)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2991336 0.73
SCHEMBL25295114 0.73
SCHEMBL2986195 0.71 TDP1 (0.30) ALDH1A1TDP1
SCHEMBL2990206 0.70 CA12 (0.33) MMP1MMP2LMNACA12CA1
SCHEMBL4332056 0.69 MMP1 (0.37) MMP1MMP2MMP3LMNACA12
SCHEMBL57459 0.69 CA12 (0.32) MMP1MMP2LMNACA12CA1
SCHEMBL11352869 0.65
SCHEMBL2984366 0.65 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL1021314 0.65 CA1 (0.32) MMP1MMP2LMNACA12CA1
SCHEMBL2982691 0.62 ALDH1A1 (0.37) CA12CA1CA2CA9ALDH1A1

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
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed