SCHEMBL748805

SCHEMBL748805

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)Oc2cc(F)cc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 3/20 0.33
DHODH Q02127 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ESRRG P62508 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GAA P10253 2/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL750907 0.93 MAPT (0.35) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL749615 0.93 MAPT (0.35) MAPTTP53SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL747204 0.92 MAPT (0.35) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL748640 0.91 TACR3 (0.32) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL750906 0.90 TP53 (0.39) MAPTTP53SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL749783 0.90 TACR3 (0.32) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL747958 0.86 TP53 (0.38) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL748502 0.85 DHODH (0.33) MAPTSMN1; SMN2MEN1KMT2APPARG
SCHEMBL747946 0.85 TP53 (0.40) MAPTTP53SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL748627 0.84 DHODH (0.33) MAPTSMN1; SMN2MEN1KMT2ALMNA

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed