SCHEMBL17364451

SCHEMBL17364451

COC(=O)COc1ccc(Sc2ccc(OCC(C)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTGS2 P35354 2/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
GLA P06280 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL17365271 0.93 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHPGDGAANPSR1
SCHEMBL10364396 0.90 PTGS2 (0.58) SMN1; SMN2LMNAGAAPTGS2ALDH1A1
SCHEMBL17364454 0.85 PTGS2 (0.54) SMN1; SMN2LMNAGAAPTGS2ALDH1A1
SCHEMBL2116437 0.82 PTGS2 (0.66) SMN1; SMN2LMNAGAAPTGS2ALDH1A1
SCHEMBL17364452 0.82 PTGS2 (0.51) SMN1; SMN2LMNAGAAPTGS2ALDH1A1
SCHEMBL17364453 0.79 GAA (0.63) SMN1; SMN2LMNAGAANPSR1PTGS2
SCHEMBL17364456 0.79 PTGS2 (0.49) SMN1; SMN2LMNAPTGS2ALDH1A1CYP2C9
SCHEMBL2955123 0.78 HPGD (0.50) SMN1; SMN2HPGDGAAALDH1A1CYP2C9
SCHEMBL3401075 0.78 MAOB (0.53) SMN1; SMN2LMNAHPGDGAANPSR1
SCHEMBL13336515 0.77 PTGS2 (0.50) SMN1; SMN2LMNAHPGDGAAPTGS2

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-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed