SCHEMBL16239694

SCHEMBL16239694

O=C(Oc1ccc2c(c1-c1c(O)ccc3c1CCC3)CCC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
JAK2 O60674 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP1 P11387 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 2/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A3 Q01959 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL16236938 0.99 KMT2A (0.44) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL16239266 0.94 KMT2A (0.46) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL16237015 0.93 KMT2A (0.47) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL22090204 0.80 MAPT (0.39) KMT2AMAPTSMN1; SMN2LMNASLC6A3
SCHEMBL30620531 0.76 KMT2A (0.49) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL20088757 0.76 ESR1 (0.41) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL20088755 0.76 ESR1 (0.41) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL20088762 0.76 ESR1 (0.41) KMT2AMAPTESR1ESR2SMN1; SMN2
SCHEMBL16239399 0.73 BCL2L1 (0.52) KMT2AMEN1BCL2L1BADACACB
SCHEMBL1284960 0.73 BCL2L1 (0.58) KMT2AMAPTMEN1GAABCL2L1

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-2997050-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-01-17 EP disclosed
EP-2803678-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 EP disclosed