SCHEMBL2048997

SCHEMBL2048997

CC(C)c1cccc2c1C(C(C)C)c1ccccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.33
GABRB2 P47870 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 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
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 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
SCHEMBL1488972 0.80 BCHE (0.39) LMNACYP1A2CYP3A4TSHRPTGS1
SCHEMBL28427967 0.78 BCHE (0.33) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL17024335 0.75 DPP4 (0.37) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL25124526 0.68
SCHEMBL14301412 0.67 MAPT (0.36) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL16812875 0.66 PTGS1 (0.41) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL28728878 0.66 LMNA (0.36) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL27626170 0.66 POLB (0.33) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL12856670 0.65 LMNA (0.44) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL13925667 0.65 CYP2D6 (0.36) LMNACYP1A2CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110151379-A1 BLACK MATRIX COMPOSITION WITH HIGH LIGHT-SHIELDING AND IMPROVED ADHESION PROPERTIES LG CHEM, LTD. (KR) 2011-06-23 US disclosed