SCHEMBL7166010

SCHEMBL7166010

O=Cc1cccc(-c2cccc3ccccc23)c1O.O=Cc1cccc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
ERN1 O75460 9/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL4075387 0.85 ERN1 (0.46) ERN1ALDH1A1LMNARARARARB
SCHEMBL7166007 0.83 HDAC4 (0.43) BACE1ERN1ALDH1A1LMNARARA
SCHEMBL3962387 0.81 ERN1 (0.50) BACE1ERN1LMNAMTNR1AMTNR1B
SCHEMBL7165307 0.79 ERN1 (0.43) BACE1ERN1ALDH1A1RARARARB
SCHEMBL547455 0.73 MEN1 (0.43) ALDH1A1LMNARARARARBRARG
SCHEMBL3965380 0.73 ERN1 (0.44) ERN1LMNATLR2TLR1TLR6
SCHEMBL9764115 0.72 PTPN22 (0.44) ALDH1A1RARARARBRARG
SCHEMBL3043614 0.72 SLC6A3 (0.41) ALDH1A1LMNA
Phosphine SCHEMBL28240146 0.70 SLC6A3 (0.41) ALDH1A1LMNA
SCHEMBL7170981 0.70 PPARG (0.40) BACE1ERN1ALDH1A1TLR2TLR1

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