SCHEMBL6446199

SCHEMBL6446199

CCC(c1ccc(C(=O)O)c(C(CC)C(C)C)c1C(=O)O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
GRM1 Q13255 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
CYP1A2 P05177 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 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
SCHEMBL1971894 0.79 POLB (0.42) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL7628806 0.78 POLB (0.42) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL6445692 0.78 ACE2 (0.39) ACE2POLBALDH1A1KDM4ERAB9A
SCHEMBL6444223 0.74 ACE2 (0.36) ACE2ALDH1A1GRM1FABP3FABP4
SCHEMBL3079818 0.74 KDM5B (0.37) ACE2POLBALDH1A1KDM4ERAB9A
SCHEMBL6444165 0.73 ACE2 (0.38) ACE2ALDH1A1GRM1FABP3FABP4
SCHEMBL8603134 0.72 ACE2 (0.40) ACE2POLBALDH1A1KDM4ERAB9A
SCHEMBL6447198 0.72 ACE2 (0.38) ACE2POLBALDH1A1KDM4ERAB9A
SCHEMBL11216320 0.71 ACE2 (0.39) ACE2ALDH1A1GRM1FABP3FABP4
SCHEMBL5695480 0.71 ACE2 (0.39) ACE2ALDH1A1GRM1FABP3FABP4

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-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed