SCHEMBL28044161

SCHEMBL28044161

Cc1ccc(C(=O)Oc2cccc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.70
ESR2 Q92731 5/20 0.70
ALOX5 P09917 2/20 0.56
PTGES O14684 1/20 0.56
HSD17B10 Q99714 3/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
PGR P06401 1/20 0.55
PTGS1 P23219 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
JAK2 O60674 1/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 3/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL1043660 0.92 ALOX5 (0.63) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL28679043 0.91 ESR1 (0.68) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL6939820 0.87 ALOX5 (0.56) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL2477732 0.86 KMT2A (0.70) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL30874080 0.86 KMT2A (0.70) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL28371712 0.86 ESR1 (0.61) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL7535342 0.85 KMT2A (0.59) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL30848573 0.85 KMT2A (0.59) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL7541679 0.85 KMT2A (0.59) ESR1ESR2ALOX5PTGESHSD17B10
SCHEMBL28376484 0.85 ESR1 (0.59) ESR1ESR2ALOX5PTGESHSD17B10

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
CN-105189570-A Mixed internal donor structures for 1-olefin polymerization catalysts BASF SE 2015-12-23 CN claimed
CN-105189570-A Mixed internal donor structures for 1-olefin polymerization catalysts BASF SE 2015-12-23 CN disclosed