SCHEMBL7380843

SCHEMBL7380843

CCOC(=O)Cc1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GHSR Q92847 1/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 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
SCHEMBL3425249 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7465079 0.84 KDM4E (0.60) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL9176990 0.83 KDM4E (0.64) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL7384304 0.81 KDM4E (0.56) KDM4ECRHBPCRHR2ALDH1A1HSD17B10
SCHEMBL3935995 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL21430761 0.74 GAA (0.55) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL14829878 0.74 GAA (0.51) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL6923876 0.73 KDM4E (0.69) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL17600647 0.73 ALDH1A1 (0.57) KDM4ECRHBPCRHR2ALDH1A1HPGD
SCHEMBL385458 0.73 ALDH1A1 (0.57) KDM4ECRHBPCRHR2ALDH1A1HPGD

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-2000069827-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-11-23 WO disclosed