SCHEMBL4259901

SCHEMBL4259901

C=C(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
DHODH Q02127 2/20 0.42
BACE1 P56817 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.41
GAA P10253 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL534827 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL17697666 0.81 LMNA (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
Biphenyl SCHEMBL29274369 0.80 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1043461 0.79 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL134190 0.78 MAPT (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29178149 0.78 L3MBTL1 (0.46) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL4290929 0.76 BACE1 (0.50) MAPTKMT2AMEN1LMNABACE1
SCHEMBL29048572 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15709514 0.76 LMNA (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL28452219 0.75 KDM4E (0.51) ALDH1A1KMT2AMEN1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125914-A2 TRIPHENYL MONOMERS SUITABLE FOR MICROSTRUCTURED OPTICAL FILMS 3M Innovative Properties Company (US) 2009-12-02 EP disclosed
WO-2008112452-A2 TRIPHENYL MONOMERS SUITABLE FOR MICROSTRUCTURED OPTICAL FILMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-09-18 WO disclosed