SCHEMBL5138549

SCHEMBL5138549

C=CCCC(CC)CCCCC=CC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5081825 0.86
SCHEMBL2780650 0.84 TSHR (0.44) PTGS1PPARGOPRK1ABCG2CYP3A4
SCHEMBL11348492 0.80 TSHR (0.42) PTGS1PPARGOPRK1ABCG2CYP3A4
SCHEMBL25178103 0.76 TSHR (0.50) CYP3A4USP2LMNAMAPTSMN1; SMN2
SCHEMBL5586518 0.76 TSHR (0.50) CYP3A4LMNATSHR
SCHEMBL15189747 0.76 TSHR (0.42) PTGS1PPARGOPRK1ABCG2CYP3A4
SCHEMBL25181809 0.74 TSHR (0.54) CYP3A4USP2LMNAMAPTSMN1; SMN2
SCHEMBL25178832 0.74 TSHR (0.54) CYP3A4LMNATSHR
SCHEMBL25185278 0.74 TSHR (0.54) CYP3A4LMNATSHR
SCHEMBL25178032 0.74 TSHR (0.54) CYP3A4USP2LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893686-A1 PLASTICIZED POLYOLEFIN COMPOSITIONS ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2008-03-05 EP claimed
WO-2006118674-A1 PLASTICIZED POLYOLEFIN COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-11-09 WO claimed
EP-1567566-A1 HIGH TEMPERATURE BULK POLYMERIZATION OF BRANCHED CRYSTALLINE POLYPROPYLENE Exxonmobil Chemical Patents Inc. (US) 2005-08-31 EP disclosed
EP-1546223-A2 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM ExxonMobil Chemical Patents Inc. (US) 2005-06-29 EP disclosed
WO-2004026923-A9 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEM PATENTS INC (US) 2004-09-10 WO disclosed
WO-2004052951-A1 DIENE-MODIFIED PROPYLENE COPOLYMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-24 WO disclosed
WO-2004052952-A1 BRANCHED DIENE-MODIFIED CRYSTALLINE POLYPROPYLENE TERPOLYMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-24 WO disclosed
WO-2004052950-A1 HIGH TEMPERATURE BULK POLYMERIZATION OF BRANCHED CRYSTALLINE POLYPROPYLENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-24 WO disclosed
WO-2004026923-A2 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-04-01 WO disclosed