SCHEMBL4453648

SCHEMBL4453648

CCC(=O)C(=O)P(=O)(O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MMP1 P03956 4/20 0.32
MMP2 P08253 4/20 0.32
MMP8 P22894 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP3 P08254 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP9 P14780 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4459814 0.78 TSHR (0.42) MMP1MMP2CA12CA1CA2
SCHEMBL13986844 0.77
SCHEMBL4462228 0.75 LPAR3 (0.38) ALDH1A1
SCHEMBL4454066 0.72 INPP5A (0.33) MMP1MMP2
SCHEMBL4452182 0.70 ALDH1A1 (0.35) CA2L3MBTL1ALDH1A1
SCHEMBL843598 0.69 LMNA (0.43) LMNACA1CA2
SCHEMBL25961639 0.69 MMP2 (0.36) MMP1MMP2MMP8CA12CA1
SCHEMBL29486937 0.68 LMNA (0.39) LMNAMMP1MMP2MMP3MMP9
SCHEMBL28798940 0.68 ALDH1A1 (0.42) LMNATDP1ALDH1A1
SCHEMBL11476932 0.67

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed