SCHEMBL7094130

SCHEMBL7094130

CCCCc1ccc(C=O)c(O)c1.O=Cc1ccc(-c2ccccc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
MPL P40238 2/20 0.46
CDK1 P06493 1/20 0.46
PSMB5 P28074 1/20 0.45
DHODH Q02127 1/20 0.44
RARB P10826 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41

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
SCHEMBL1527086 0.87 CDK1 (0.57) CDK1PPARANPC1HPGDMAPK1
SCHEMBL7091136 0.87 CDK1 (0.60) TRPV1CDK1RARBMCL1KAT8
SCHEMBL1527136 0.83 CDK1 (0.60) CDK1PPARANPC1HPGDMAPK1
SCHEMBL10803882 0.82 CDK1 (0.63) CDK1PPARAKAT8
SCHEMBL28970004 0.82 CDK1 (0.63) CDK1PPARAKAT8
SCHEMBL28823310 0.82 CDK1 (0.63) CDK1PPARAKAT8
SCHEMBL29189689 0.82 CDK1 (0.63) CDK1PPARAKAT8
SCHEMBL29398976 0.81 ALOX5 (0.57) HPGDHTTALOX15MCL1
SCHEMBL2786991 0.81 ALOX5 (0.57) HPGDHTTALOX15MCL1
SCHEMBL9652705 0.79 PSMB5 (0.60) TRPV1CDK1PSMB5DHODHRARB

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-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 WO disclosed