SCHEMBL27702953

SCHEMBL27702953

COc1ccc(C(CC(N)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.51
FFAR1 O14842 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CRHBP P24387 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL4435855 0.92 CNR2 (0.52) TNFLMNAHPGDGAAL3MBTL1
SCHEMBL4441848 0.88 CACNA1A (0.57) TNFLMNAHPGDGAAKMT2A
SCHEMBL11071292 0.85 L3MBTL1 (0.61) TNFL3MBTL1FFAR1CYP1A2CYP2D6
SCHEMBL6484578 0.85 FFAR1 (0.66) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL628797 0.85 LMNA (0.56) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL12883281 0.84 TNF (0.54) TNFGAAL3MBTL1KMT2AFFAR1
SCHEMBL3443782 0.84 L3MBTL1 (0.67) TNFL3MBTL1FFAR1CYP1A2CYP2D6
SCHEMBL6289377 0.82 TNF (0.52) TNFL3MBTL1KMT2AFFAR1CYP1A2
SCHEMBL4459742 0.82 TNF (0.52) TNFLMNAGAAL3MBTL1KMT2A
SCHEMBL6226631 0.81 TNF (0.49) TNFLMNAL3MBTL1FFAR1CYP1A2

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-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed