SCHEMBL6681972

SCHEMBL6681972

CC(C)Cc1ccccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRB2 P47870 4/20 0.52
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.41
SLC6A2 P23975 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL9184834 0.86 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9118442 0.82 GABRA1 (0.54) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9492902 0.82 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL873677 0.82 GABRA1 (0.54) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL8558576 0.82 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL15820759 0.82 SLC6A2 (0.50) GABRA1GABRB2SLC6A2HTR2CHTR2B
SCHEMBL3369248 0.82 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL840750 0.82 GABRA1 (0.64) GABRA1GABRB2SLC6A2LMNASLC6A4
SCHEMBL9839884 0.80 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL5174943 0.79 GABRA1 (0.61) GABRA1GABRB2SLC6A2LMNASLC6A4

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-3558508-A1 MICROCAPSULES Symrise AG (DE) 2019-10-30 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-3941786-A Process for the production of 4-hydroxy-6-hydroxymethylpyrimidine LONZA LTD. (CH) 1976-03-02 US disclosed