SCHEMBL15580684

SCHEMBL15580684

C[C@H](c1ccc(Oc2cccc(OCC(=O)O)c2)cc1Cl)[C@@](O)(c1ccc2c(c1)n(C)c(=O)n2C)C(C)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 9/20 0.36
PPARA Q07869 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARD Q03181 1/20 0.34
LMNA P02545 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL474296 0.94 TRIM24 (0.47) TRIM24SMN1; SMN2PPARGPPARAKDM4E
SCHEMBL12164048 0.94 TRIM24 (0.47) TRIM24SMN1; SMN2PPARGPPARAKDM4E
SCHEMBL474253 0.89 SMN1; SMN2 (0.40) TRIM24SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12164042 0.89 SMN1; SMN2 (0.40) TRIM24SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12164058 0.82 KMO (0.43) TRIM24PPARGBRD4BRPF1
SCHEMBL474397 0.82 ADORA2A (0.42) SMN1; SMN2PPARAKDM4EMEN1KMT2A
SCHEMBL474456 0.82 KMO (0.43) TRIM24PPARGBRD4BRPF1
SCHEMBL12164031 0.80 SMN1; SMN2 (0.39) TRIM24SMN1; SMN2PPARGPPARAKDM4E
SCHEMBL474454 0.80 SMN1; SMN2 (0.39) TRIM24SMN1; SMN2PPARGPPARAKDM4E
SCHEMBL474255 0.80 BRD4 (0.38) TRIM24SMN1; SMN2PPARGKDM4EBRD4

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-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP disclosed