SCHEMBL7180191

SCHEMBL7180191

C=CC(C)CCC(=CCCCCCCCC)CC(C)(C)CC(C)C=C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
TSHR P16473 1/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB2 Q08289 1/20 0.31
CACNA1C Q13936 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
SCHEMBL248947 1.00 ABCG2 (0.33) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL8515105 0.86 TSHR (0.38) TSHR
SCHEMBL817018 0.79
SCHEMBL8165020 0.75 TSHR (0.33) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL7216399 0.72 TSHR (0.33) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL7163008 0.70 TSHR (0.35) TSHR
SCHEMBL56378 0.70 GGPS1 (0.39) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL2120363 0.70
SCHEMBL4452354 0.69 TSHR (0.37) PPARGTSHRCYP3A4EP300
SCHEMBL1539785 0.69 ALDH1A1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349655-A2 CATALYST SUPPORT METHOD AND POLYMERIZATION WITH SUPPORTED CATALYSTS Univation Technologies LLC (US) 2003-10-08 EP disclosed
EP-1339726-A1 CATALYST COMPOSITION AND METHOD OF POLYMERIZATION Univation Technologies LLC (US) 2003-09-03 EP disclosed
EP-1242476-A1 START UP METHODS FOR MULTIPLE CATALYST SYSTEMS Univation Technologies LLC (US) 2002-09-25 EP disclosed
WO-2002046201-A1 CATALYST COMPOSITION AND METHOD OF POLYMERIZATION UNIVATION TECHNOLOGIES, LLC (US) 2002-06-13 WO disclosed
WO-2002045854-A2 METHOD FOR PREPARING A CATALYST SUPPORT AND POLYMERIZATION WITH SUPPORTED CATALYSTS UNIVATION TECHNOLOGIES, LLC (US) 2002-06-13 WO disclosed
US-20020052453-A1 Catalyst composition, method of polymerization, and polymer therefrom LOVEDAY DONALD R (US) 2002-05-02 US disclosed
US-20010034423-A1 Polymerization catalyst compositions OSKAM JOHN H (US) 2001-10-25 US disclosed
WO-2001030862-A1 START UP METHODS FOR MULTIPLE CATALYST SYSTEMS UNIVATION TECHNOLOGIES, LLC (US) 2001-05-03 WO disclosed