SCHEMBL7344641

SCHEMBL7344641

CCCCCc1cc(C=O)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
TSHR P16473 1/20 0.54
FDPS P14324 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
HTR2A P28223 1/20 0.46
ALOX5 P09917 2/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8085879 0.98 ALDH1A1 (0.53) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL16930085 0.89 ALDH1A1 (0.59) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL2933054 0.86 FDPS (0.54) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL8034223 0.86 ALDH1A1 (0.53) ALDH1A1TSHRFDPSHPGDMEN1
SCHEMBL8089378 0.84 FDPS (0.51) FDPSHTR2AALOX5PTGS2
SCHEMBL29957052 0.83 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL2432443 0.83 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL7420216 0.81 ALDH1A1 (0.58) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL9505345 0.81 ALDH1A1 (0.50) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL5077090 0.80 TSHR (0.46) ALDH1A1TSHRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP disclosed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP disclosed