SCHEMBL6663440

SCHEMBL6663440

CC(C)(C)c1cccc(N=CC=Nc2cccc(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.37
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ALOX12 P18054 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL14816945 0.81 ALDH1A1 (0.51) CA2ALDH1A1PLA2G1BMAPTATG4B
SCHEMBL2745089 0.76 CA2 (0.40) CA2ALDH1A1PLA2G1BMAPTATG4B
SCHEMBL304569 0.75 CA2 (0.57) CA2ALDH1A1MAPTALOX12GABRA1
SCHEMBL6661632 0.74 CA2 (0.43) CA2ALDH1A1PLA2G1BMAPTATG4B
SCHEMBL242956 0.74 CA2 (0.46) CA2ALDH1A1PLA2G1BMAPTATG4B
SCHEMBL242955 0.74 CA2 (0.46) CA2ALDH1A1PLA2G1BMAPTATG4B
SCHEMBL18245372 0.73 ALDH1A1 (0.43) CA2ALDH1A1ALOX12GABRA1GABRB2
SCHEMBL29420724 0.73 CA2 (0.38) CA2ALDH1A1ALOX12GABRA1GABRB2
SCHEMBL27746466 0.73 CA2 (0.38) CA2ALDH1A1ALOX12GABRA1GABRB2
SCHEMBL9621888 0.72 ALDH1A1 (0.43) CA2ALDH1A1MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1241156-B1 Process for the hydroformylation of olefinic unsaturated compounds in a non-aqueous ionic solvent INST FRANCAIS DU PETROLE (FR) 2004-08-18 EP disclosed
EP-1106595-B1 Improved hydroformylation process with cobalt and/or rhodium based catalysts in a biphasic medium INST FRANCAIS DU PETROLE (FR) 2004-08-11 EP disclosed
EP-1241156-A1 Process for the hydroformylation of olefinic unsaturated compounds in a non-aqueous ionic solvent INSTITUT FRANCAIS DU PETROLE (FR) 2002-09-18 EP disclosed
EP-1106595-A1 Improved hydroformylation process with cobalt and/or rhodium based catalysts in a biphasic medium INSTITUT FRANCAIS DU PETROLE (FR) 2001-06-13 EP disclosed