SCHEMBL2225607

SCHEMBL2225607

CC(C)(C)C(=O)c1cc(C(=O)O)cc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX12 P18054 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
BRCA1 P38398 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FTO Q9C0B1 10/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
SMAD3 P84022 1/20 0.49
PRMT1 Q99873 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.36

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
SCHEMBL2877720 0.85 HPGD (0.51) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL3282095 0.85 HPGD (0.51) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL2989053 0.85 HPGD (0.53) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL1986259 0.84 HPGD (0.49) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL2407742 0.82 HPGD (0.52) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL19207355 0.82 HPGD (0.54) HPGDALDH1A1ALOX12CYP2C9ALOX15
Pivalate SCHEMBL29003697 0.79 FTO (0.59) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL5077074 0.78 FTO (0.58) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL20832 0.78 ALDH1A1 (0.60) HPGDALDH1A1ALOX12CYP2C9ALOX15
Pivalate SCHEMBL29024604 0.78 FTO (0.60) HPGDALDH1A1ALOX12CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011087707-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. (NL) 2011-07-21 WO disclosed