SCHEMBL7976344

SCHEMBL7976344

O=C(O)CSCC(=O)Nc1ccc2c(c1)C(=O)OC21c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.51
FABP4 P15090 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT1 Q99873 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD1 P21728 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL7973230 0.82 FTO (0.57) FTOL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3652810 0.80 FTO (0.52) FTOALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2152787 0.79 FTO (0.64) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL4140151 0.78 FTO (0.65) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL3648893 0.76 FTO (0.47) FTOALDH1A1MEN1MAPTHPGD
SCHEMBL9295069 0.75 FTO (0.66) FTOALDH1A1MEN1MAPTHPGD
SCHEMBL7976188 0.74 FTO (0.71) FTOALDH1A1MEN1MAPTHPGD
SCHEMBL7971498 0.74 FTO (0.69) FTOL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7976241 0.73 FTO (0.46) FTOALDH1A1MEN1MAPTHPGD
SCHEMBL7973516 0.73 FTO (0.49) FTOALDH1A1MEN1MAPTHPGD

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