SCHEMBL7864064

SCHEMBL7864064

CCOc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMAD3 P84022 1/20 0.55
PRMT1 Q99873 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.53
ALOX12 P18054 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
BRCA1 P38398 1/20 0.53
CYP3A4 P08684 1/20 0.52

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
SCHEMBL7542402 0.95 CYP3A4 (0.61) FTOHPGDMAPTMEN1HTT
SCHEMBL5176015 0.87 FTO (0.51) FTOHPGDMAPTMEN1HTT
SCHEMBL11666220 0.87 FTO (0.59) FTOHPGDMAPTMEN1HTT
SCHEMBL2314510 0.83 FTO (0.60) FTOHPGDMAPTMEN1HTT
SCHEMBL385190 0.83 HPGD (0.53) FTOHPGDMAPTMEN1HTT
SCHEMBL393726 0.82 FTO (0.47) FTOHPGDMAPTMEN1HTT
SCHEMBL6685820 0.82 FTO (0.53) FTOHPGDMAPTMEN1HTT
SCHEMBL4519856 0.80 FTO (0.63) FTOHPGDMAPTMEN1HTT
SCHEMBL22110384 0.80 FTO (0.56) FTOHPGDMAPTMEN1HTT
SCHEMBL7524436 0.80 FTO (0.56) FTOHPGDMAPTMEN1HTT

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-1133697-A1 METHOD FOR MODIFYING AND IDENTIFYING FUNCTIONAL SITES IN PROTEINS Xerion Pharmaceuticals GmbH (DE) 2001-09-19 EP disclosed
WO-2000031544-A1 METHOD FOR MODIFYING AND IDENTIFYING FUNCTIONAL SITES IN PROTEINS XERION PHARMACEUTICALS GMBH (DE) 2000-06-02 WO disclosed