SCHEMBL7976188

SCHEMBL7976188

O=C(O)CCC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.71
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMAD3 P84022 1/20 0.57
KMT2A Q03164 1/20 0.57
PRMT1 Q99873 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KEAP1 Q14145 1/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.48
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
CYP1A1 P04798 1/20 0.47
DRD1 P21728 2/20 0.47
TTR P02766 1/20 0.46

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
SCHEMBL5596736 0.94 FTO (0.69) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL15658275 0.89 FTO (0.71) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL2152787 0.88 FTO (0.64) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL13537269 0.88 FTO (0.69) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL9428406 0.87 FTO (0.74) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29660490 0.87 FTO (0.74) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29406840 0.87 FTO (0.78) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL25103 0.87 FTO (0.78) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL17970938 0.87 FTO (0.74) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL9626320 0.87 FTO (0.74) FTOHPGDMEN1MAPTCYP2C19

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
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed