SCHEMBL9729964

SCHEMBL9729964

CC(C)CC(=O)OC(C)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.37
CYP2C19 P33261 1/20 0.34
PRKCA P17252 2/20 0.34
ALOX15 P16050 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL6899594 0.83 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6895534 0.83 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11016719 0.80 LMNA (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL821959 0.78 TDP1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9730563 0.78 MEN1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL23249534 0.78 MEN1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12205685 0.78 MEN1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18558891 0.77 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10592718 0.77 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL127431 0.77 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP13

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-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed