SCHEMBL7091232

SCHEMBL7091232

CCCCc1cccc(C=O)c1O.CCCc1cccc(C=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
ERN1 O75460 3/20 0.46
IAPP P10997 3/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
ELANE P08246 2/20 0.43
CTSG P08311 2/20 0.43
PRKCI P41743 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL193427 0.97 ALOX5 (0.49) ALOX5PTGS2ERN1IAPPTLR2
SCHEMBL29953931 0.93 ERN1 (0.52) ALOX5PTGS2ERN1IAPPTLR2
SCHEMBL1527632 0.93 ERN1 (0.52) ALOX5PTGS2ERN1IAPPTLR2
SCHEMBL1527091 0.92 ALOX5 (0.55) ALOX5PTGS2ERN1IAPPTLR2
SCHEMBL8527689 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG
SCHEMBL1527072 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG
SCHEMBL8531468 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG
SCHEMBL6910210 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG
SCHEMBL11503688 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG
SCHEMBL8530625 0.90 ALOX5 (0.54) ALOX5PTGS2ERN1ELANECTSG

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