SCHEMBL6909109

SCHEMBL6909109

CCCCC(C)(C)C(CCCC)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL28727456 0.84 AKR1B1 (0.37) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28875919 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL21269636 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL21269746 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28314465 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28314406 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL21268841 0.82 AKR1B1 (0.36) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28315847 0.80 AKR1B1 (0.34) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28315675 0.80 AKR1B1 (0.34) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL28315833 0.80 AKR1B1 (0.34) AKR1B1CA2MAPK1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918802-B2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2004-10-06 EP disclosed
EP-0918802-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2001-11-14 EP disclosed
US-6294497-B1 COMPRISING A TITANIUM COMPOUND, HAVING AT LEAST A TI-HALOGEN BOND AND AN ELECTRON DONER WHICH MAY BE A SUBSTITUTED MALONIC DIESTER, A 1,3-DIETHER OR A SILOXY COMPOUND SUPPORTED ON A MG HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-09-25 US disclosed
EP-0918802-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-06-02 EP disclosed
WO-1998056830-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO disclosed