SCHEMBL4634575

SCHEMBL4634575

CC(C)c1cc(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GABRA1 P14867 6/20 0.36
GABRB1 P18505 4/20 0.36
GABRB2 P47870 4/20 0.36
LMNA P02545 4/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL12096306 0.81 CA1 (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL371433 0.78 CA1 (0.47) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9064407 0.77 TAAR1 (0.33) CA1CA2FABP3FABP4FABP5
SCHEMBL9064315 0.77 LMNA (0.33) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL1292825 0.76 GABRA1 (0.41) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9064395 0.75 GABRA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9064476 0.75 LMNA (0.41) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL1260609 0.75 LMNA (0.34) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL5590049 0.75 CA1 (0.54) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19197818 0.75 CA1 (0.32) CA1CA2GABRA1GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926694-A2 A METHOD OF MAKING AROMATIC PRODUCTS Shell Internationale Research Maatschappij B.V. (NL) 2008-06-04 EP disclosed
US-20070118006-A1 METHOD OF MAKING AROMATIC PRODUCTS SHELL OIL COMPANY 2007-05-24 US disclosed
WO-2007035349-A2 A METHOD OF MAKING AROMATIC PRODUCTS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-03-29 WO disclosed
US-6339179-B1 PORTION OF TRANSALKYLATION REACTION ZONE EFFLUENT PASSES TO ALKYLATION REACTION ZONE WHERE AROMATIC SUBSTRATE IS ALKYLATED TO DESIRED ALKYL AROMATIC, PORTION OF ALKYLATION AND TRANSALKYLATION ZONE EFFLUENTS PASS TO PRODUCT RECOVERY ZONE UOP LLC 2002-01-15 US disclosed
US-4316997-A PERFLUORO VINYL ETHER HAVING SULFONIC ACID GROUPS POLYMER AS CATALYST VAREN TECHNOLOGY (US) 1982-02-23 US disclosed
US-4005156-A Novel flame retardant compositions of matter UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-01-25 US disclosed