SCHEMBL7091136

SCHEMBL7091136

CCCCc1ccc(O)c(C=O)c1.O=Cc1cc(-c2ccccc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.60
ERN1 O75460 12/20 0.50
RARB P10826 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MCL1 Q07820 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44

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
SCHEMBL305915 0.87 CDK1 (0.77) CDK1ERN1KAT8
SCHEMBL7094130 0.87 TRPV1 (0.47) CDK1RARBTRPV1MCL1KAT8
SCHEMBL10880912 0.86 CDK1 (0.62) CDK1ERN1RARBMCL1KAT8
SCHEMBL19497897 0.85 CDK1 (0.69) CDK1RARBKAT8
SCHEMBL305077 0.83 CDK1 (0.81) CDK1KAT8
SCHEMBL9318508 0.82 CDK1 (0.84) CDK1TRPV1KAT8
SCHEMBL305081 0.82 CDK1 (0.84) CDK1TRPV1KAT8
SCHEMBL304650 0.82 CDK1 (0.84) CDK1TRPV1KAT8
SCHEMBL304974 0.82 CDK1 (0.84) CDK1TRPV1KAT8
SCHEMBL11421416 0.82 CDK1 (0.84) CDK1TRPV1KAT8

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