SCHEMBL12349785

SCHEMBL12349785

C=C(C)C(=O)OCCNC(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(CCCc2ccc(OC(=O)NCCOC(=O)C(=C)C)c(C)c2)O[Si](C)(CCCc2ccc(OC(=O)NCCOC(=O)C(=C)C)c(C)c2)O[Si](C)(CCCc2ccc(OC(=O)NCCOC(=O)C(=C)C)c(C)c2)OC)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
NAMPT P43490 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12349788 0.81 HPGD (0.35) MGLLHPGDMTNR1AMTNR1BLMNA
SCHEMBL12349861 0.78 ADRB2 (0.39) HPGDALDH1A1MTNR1AMTNR1BADRB2
SCHEMBL12349763 0.78 PLAAT3 (0.42) ALDH1A1MTNR1AMTNR1BADRB2LMNA
SCHEMBL13616974 0.76 PLAAT3 (0.40) ALDH1A1MTNR1AMTNR1BADRB2POLB
SCHEMBL13616987 0.75 ALOX5 (0.42) MTNR1AMTNR1BADRB2
SCHEMBL12349867 0.71 MGLL (0.47) MGLLALDH1A1LMNAPOLBHTT
SCHEMBL24434329 0.71 MGLL (0.40) MGLLHPGDALDH1A1LMNAPOLB
SCHEMBL12349829 0.70 L3MBTL1 (0.44) MGLLHPGDALDH1A1LMNAHTT
SCHEMBL12349787 0.68 PTGS1 (0.60) ALDH1A1LMNAPOLBHTTKMT2A
SCHEMBL12349801 0.68 TAAR1 (0.40) MGLLMTNR1AMTNR1BLMNASMN1; SMN2

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-20110190467-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2011-08-04 US disclosed