SCHEMBL10316893

SCHEMBL10316893

COC(=O)CCc1cccc(-c2cc(C)ccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
CTSA P10619 3/20 0.47
PTPN1 P18031 2/20 0.46
HTR7 P34969 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
CNR2 P34972 1/20 0.43
PDE4D Q08499 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL1672424 0.89 FFAR1 (0.58) FFAR1CTSAPTGDR2FFAR4
SCHEMBL12986211 0.87 PTGDR2 (0.51) FFAR1PTPN1PTGDR2FFAR4
SCHEMBL19212490 0.85 PTGDR2 (0.44) FFAR1CTSAPTPN1SIRT2PTGDR2
SCHEMBL1672699 0.81 HTR7 (0.48) FFAR1CTSAHTR7PTGDR2KMT2A
SCHEMBL1107166 0.79 SIRT2 (0.52) SIRT2MEN1KMT2AFFAR4
SCHEMBL6721718 0.79 HTR7 (0.52) FFAR1CTSAHTR7PTGDR2KMT2A
SCHEMBL21475912 0.79 HTR7 (0.58) FFAR1PTPN1HTR7SIRT2FFAR4
SCHEMBL5039715 0.79 PTPN1 (0.55) FFAR1PTPN1HTR7SIRT2CNR2
SCHEMBL8200129 0.78 JAK2 (0.49) FFAR1PTPN1HTR7PDE4DKMT2A
SCHEMBL3614087 0.77 HTR7 (0.51) CTSAHTR7PTGDR2SYK

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
EP-1701932-B1 TOLTERODINE, COMPOSITIONS AND USES THEREOF, AND PREPARATION OF THE SAME CIPLA LTD (IN) 2012-07-18 EP disclosed