SCHEMBL5790913

SCHEMBL5790913

COC(=O)C(C)C(=O)OO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.38
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
F9 P00740 1/20 0.30
PLAU P00749 1/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30
ALDH2 P05091 1/20 0.30
TSHR P16473 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
SCHEMBL275280 0.88 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL26658220 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL10805452 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL9505582 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL1920162 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL8809999 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL3803538 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL20556111 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL5632475 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL622787 0.76 TSHR (0.43) SMN1; SMN2CA14CA12ALDH1A1KMT2A

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
WO-2006011647-A1 POLYMERIZABLE COMPOSITION, OPTICALLY ANISOTROPIC LAYER AND METHOD FOR MANUFACTURING THEREOF, OPTICAL COMPENSATORY ELEMENT, LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL PROJECTOR FUJIFILM CORPORATION (JP) 2006-02-02 WO disclosed