SCHEMBL888331

SCHEMBL888331

CCOC(=O)C(COC)(CC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.42
MAPT P10636 2/20 0.41
MMP8 P22894 2/20 0.39
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
CACNA1G O43497 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KIF11 P52732 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN1 Q05586 2/20 0.36

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
SCHEMBL888468 0.89 PIN1 (0.42) PIN1MAPTMMP8ALDH1A1RECQL
SCHEMBL888518 0.87 KCNN4 (0.49) MAPTKCNN4ALDH1A1NPSR1CHRM2
SCHEMBL818925 0.81 KCNN4 (0.38) MAPTKCNN4ALDH1A1NPSR1CHRM2
SCHEMBL14874547 0.80 MEN1 (0.43) PIN1MAPTALDH1A1POLBMEN1
SCHEMBL16732189 0.78 PIN1 (0.47) PIN1MAPTMMP8KCNN4ALDH1A1
SCHEMBL888544 0.77 CACNA1G (0.51) PIN1MAPTMMP8KCNN4ALDH1A1
SCHEMBL8483586 0.77 PIN1 (0.53) PIN1MAPTMMP8KCNN4ALDH1A1
SCHEMBL11415156 0.77 MMP8 (0.46) PIN1MAPTMMP8ALDH1A1RECQL
Ammonia Solution, Strong SCHEMBL10879989 0.76 PIN1 (0.51) PIN1MAPTMMP8KCNN4ALDH1A1
SCHEMBL28308257 0.75 PIN1 (0.45) PIN1MAPTMMP8ALDH1A1RECQL

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
US-20130190464-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed