SCHEMBL474933

SCHEMBL474933

CC(c1cc(OCC(=O)O)ccc1-c1ccccc1)C(O)(c1ccc2c(c1)n(C)c(=O)n2C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
ADORA2B P29275 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM24 O15164 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 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
SCHEMBL474936 0.91 ADORA2A (0.42) PPARGADORA2BPTGDR2ADORA2ASMN1; SMN2
SCHEMBL474633 0.84 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1BRD4BRPF1
SCHEMBL474397 0.82 ADORA2A (0.42) ADORA2BADORA2AKDM4EMEN1KMT2A
SCHEMBL12164048 0.82 TRIM24 (0.47) PPARGADORA2BADORA2AKDM4EMEN1
SCHEMBL474296 0.82 TRIM24 (0.47) PPARGADORA2BADORA2AKDM4EMEN1
SCHEMBL474253 0.80 SMN1; SMN2 (0.40) ADORA2BADORA2AKDM4EMEN1KMT2A
SCHEMBL12164042 0.80 SMN1; SMN2 (0.40) ADORA2BADORA2AKDM4EMEN1KMT2A
SCHEMBL474976 0.78 PTGDR2 (0.39) PPARGPTGDR2SMN1; SMN2ALDH1A1BRPF1
SCHEMBL474975 0.76 ALDH1A1 (0.35) PTGDR2SMN1; SMN2ALDH1A1PDCD1CD274
SCHEMBL15580684 0.76 TRIM24 (0.46) PPARGADORA2BADORA2AKDM4EMEN1

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
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed