SCHEMBL7093773

SCHEMBL7093773

CCCc1ccc(C=O)c(O)c1.CCc1ccc(C=O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TRPA1 O75762 1/20 0.48
CDK1 P06493 1/20 0.47
TYR P14679 2/20 0.45
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
IAPP P10997 3/20 0.41
BACE1 P56817 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 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
SCHEMBL465035 0.95 CNR1 (0.53) CNR1CNR2CDK1TYRTRIM24
SCHEMBL1527080 0.91 TRPA1 (0.57) TRPA1CDK1TYRTRIM24TRIM33
SCHEMBL7094408 0.87 CDK1 (0.65) CNR1CNR2TRPA1CDK1IAPP
SCHEMBL1527086 0.85 CDK1 (0.57) CDK1TYRTRIM24TRIM33IAPP
SCHEMBL21002110 0.84 CDK1 (0.58) CDK1TYRTRIM24TRIM33BACE1
SCHEMBL1527136 0.83 CDK1 (0.60) CDK1IAPPCYP3A4HIF1AHSD17B10
SCHEMBL28823310 0.82 CDK1 (0.63) CDK1CYP3A4HIF1AHSD17B10
SCHEMBL29189689 0.82 CDK1 (0.63) CDK1CYP3A4HIF1AHSD17B10
SCHEMBL28970004 0.82 CDK1 (0.63) CDK1CYP3A4HIF1AHSD17B10
SCHEMBL10803882 0.82 CDK1 (0.63) CDK1CYP3A4HIF1AHSD17B10

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