SCHEMBL7062229

SCHEMBL7062229

C=CCCCC=Cc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RELA Q04206 1/20 0.38
CA1 P00915 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL38654783 0.84 TSHR (0.41) MAPTALDH1A1HPGD
SCHEMBL28594086 0.82 NFE2L2 (0.42) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL21462942 0.80 PDE5A (0.46) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL9480916 0.80 SIGMAR1 (0.44) MAOBALDH1A1
SCHEMBL1052313 0.80 PDE5A (0.46) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL8078756 0.79 GRM5 (0.37) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL8078761 0.79 GRM5 (0.37) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL809698 0.78 NFE2L2 (0.42) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL809924 0.78 NFE2L2 (0.42) NFE2L2SMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL29101253 0.78 TNNC1 (0.50) NFE2L2PTGS1PTGS2ALOX5RELA

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-1042376-B1 ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM EXXONMOBIL CHEM PATENTS INC (US) 2003-05-21 EP disclosed
EP-0946610-B1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-28 EP disclosed
US-6180736-B1 USING SUPPORT AND A COMPLEX FORMED BY ACTIVATING A GROUP 3, 4, 5, OR 6 METALLOCENE COMPRISING UNSUBSTITUTED (TETRAHYDRO) INDENYL LIGAND AND UNSUBSTITUTED CYCLOPENTADIENYL LIGAND; ETHYLENE POLYMERS WITH NARROW MOLECULAR WEIGHT DISTRIBUTION EXXON CHEMICAL PATENTS INC 2001-01-30 US disclosed
EP-1042376-A1 ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM EXXON CHEMICAL PATENTS INC. (US) 2000-10-11 EP disclosed
EP-1042377-A1 SLURRY POLYMERIZATION PROCESS WITH ALKYL-SUBSTITUTED BISCYCLOPENTADIENYL METALLOCENES Univation Technologies LLC (US) 2000-10-11 EP disclosed
EP-0946610-A1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXON CHEMICAL PATENTS INC. (US) 1999-10-06 EP disclosed
WO-1999032530-A1 ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM EXXON CHEMICAL PATENTS INC. (US) 1999-07-01 WO disclosed
WO-1999032531-A1 SLURRY POLYMERIZATION PROCESS WITH ALKYL-SUBSTITUTED BISCYCLOPENTADIENYL METALLOCENES UNIVATION TECHNOLOGIES LLC (US) 1999-07-01 WO disclosed
WO-1998028350-A1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXON CHEMICAL PATENTS INC. (US) 1998-07-02 WO disclosed