SCHEMBL7606796

SCHEMBL7606796

O=C(C[S])Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.63
MAPT P10636 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
SMAD3 P84022 1/20 0.58
PRMT1 Q99873 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DRD1 P21728 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.43
JAK2 O60674 1/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7611076 0.92 FTO (0.74) FTOMAPTHPGDMEN1HTT
SCHEMBL20699463 0.89 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL29399629 0.89 FTO (0.66) FTOMAPTHPGDMEN1HTT
SCHEMBL1286244 0.89 FTO (0.66) FTOMAPTHPGDMEN1HTT
SCHEMBL10478983 0.89 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL10577071 0.88 FTO (0.62) FTOMAPTHPGDMEN1HTT
SCHEMBL4600492 0.85 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL10478977 0.84 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL16671572 0.84 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL13537413 0.83 FTO (0.56) FTOMAPTHPGDMEN1HTT

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-0853628-B1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE FORSCHUNGSVERBUND BERLIN EV (DE) 2002-10-02 EP claimed
EP-0853628-A1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE Forschungsverbund Berlin e.V. (DE) 1998-07-22 EP claimed
WO-1997005155-A1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE FORSCHUNGSVERBUND BERLIN E.V. (DE) 1997-02-13 WO claimed
EP-0853628-B1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE FORSCHUNGSVERBUND BERLIN EV (DE) 2002-10-02 EP disclosed
EP-0853628-A1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE Forschungsverbund Berlin e.V. (DE) 1998-07-22 EP disclosed
WO-1997005155-A1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE FORSCHUNGSVERBUND BERLIN E.V. (DE) 1997-02-13 WO disclosed