SCHEMBL28756407

SCHEMBL28756407

CC(=O)OC1=CCc2ccc(CF)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CFD P00746 1/20 0.33
GSTP1 P09211 1/20 0.33
NQO2 P16083 2/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ALOX5 P09917 2/20 0.32
BACE1 P56817 2/20 0.31
PTGS1 P23219 1/20 0.31
CYP3A4 P08684 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
SCHEMBL11659649 0.81 KDM4E (0.37) CYP4F2CYP4A11NQO2MTNR1AMTNR1B
SCHEMBL11659554 0.77 MTNR1A (0.48) NQO2MTNR1AMTNR1BBACE1CYP3A4
SCHEMBL7633782 0.73 ALDH1A1 (0.41) BACE1PTGS1
SCHEMBL28747226 0.72 NOTUM (0.38) CYP4F2CYP4A11BACE1CYP3A4
SCHEMBL15874888 0.67 KDM4C (0.40) CYP4F2CYP4A11BACE1
SCHEMBL25945070 0.65 LMNA (0.40)
SCHEMBL9199539 0.64 NOTUM (0.39)
SCHEMBL27742187 0.63 MPO (0.44) NQO2MTNR1AMTNR1BALOX5BACE1
SCHEMBL20651118 0.60 METAP1 (0.33)
SCHEMBL29448341 0.59 PDGFRB (0.37)

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
CN-1699335-A Process for preparing sulindac UNIV ZHEJIANG (CN) 2005-11-23 CN disclosed