SCHEMBL5697268

SCHEMBL5697268

CC(C)c1ccc(C=N)c(Oc2ccccc2)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
LTA4H P09960 3/20 0.33
TSHR P16473 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL11583313 0.70 LTA4H (0.46) KMT2AKDM4EGLAMAPTALDH1A1
SCHEMBL11095075 0.69 CA4 (0.34) KMT2AALDH1A1LTA4HLMNA
SCHEMBL10799799 0.68 SLC6A4 (0.42) KMT2AALDH1A1HPGDHTTLTA4H
SCHEMBL22325826 0.66 MAOA (0.38) KMT2AKDM4EGLAMAPTALDH1A1
SCHEMBL22185236 0.66 CA12 (0.39) KMT2AKDM4EGLAMAPTALDH1A1
SCHEMBL14431354 0.66 GABRA1 (0.44) KMT2AMAPTHPGDTSHRLMNA
SCHEMBL24713376 0.65 ALDH1A1 (0.42) KMT2AMAPTALDH1A1HPGDHTT
SCHEMBL9102119 0.65 LTA4H (0.35) KMT2AKDM4EGLAMAPTALDH1A1
SCHEMBL6062443 0.64 GABRA1 (0.53) KMT2AKDM4EMAPTHPGDALOX12
SCHEMBL6619121 0.63 LTA4H (0.46) KMT2AALDH1A1HPGDHTTLTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
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