SCHEMBL3708482

SCHEMBL3708482

CCOC(=O)Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
IDH1 O75874 1/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.43
GRM1 Q13255 1/20 0.42
HPGD P15428 5/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7076515 0.83 KDM4E (0.54) KDM4EALDH1A1HSD17B10KMT2ATDP1
SCHEMBL3710764 0.82 PTGDR2 (0.47) KDM4EALDH1A1HSD17B10IDH1GRM1
SCHEMBL22185665 0.82 IDH1 (0.52) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL3714361 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL30681975 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL26617566 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL3712461 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL24651096 0.78 POLB (0.45) ALDH1A1IDH1KMT2AMEN1SMN1; SMN2
SCHEMBL12301250 0.78 KDM4E (0.52) KDM4EALDH1A1HSD17B10KMT2ATDP1
SCHEMBL30719997 0.76 KDM4E (0.68) KDM4EALDH1A1HSD17B10KMT2ALMNA

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-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 EP disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed