SCHEMBL13522286

SCHEMBL13522286

CCC(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
DHODH Q02127 1/20 0.35
MAPT P10636 2/20 0.34
KIF11 P52732 1/20 0.33
SLC6A9 P48067 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BCL2 P10415 2/20 0.32
MCL1 Q07820 2/20 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
SCHEMBL13321972 0.86 TTR (0.40) LMNAMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL13819211 0.82 NPC1 (0.39) LMNAMAPK1SMN1; SMN2MCL1NPC1
SCHEMBL13321956 0.81 ALDH1A1 (0.41) LMNAMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL13106020 0.80 PNLIP (0.40) LMNASMN1; SMN2KMT2AL3MBTL1PTGDR2
SCHEMBL13522285 0.79 NPC1 (0.37) LMNAMAPK1SMN1; SMN2PPARGPPARD
SCHEMBL4891781 0.79 TTR (0.44) ESR1ESR2
SCHEMBL14401996 0.78 FGFR2 (0.36) SMN1; SMN2ALDH1A1PPARGPPARAL3MBTL1
SCHEMBL13106024 0.77 PDK2 (0.38) MAPK1L3MBTL1PTGDR2CYP2C9
SCHEMBL13106029 0.76 KMT2A (0.44) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL13321966 0.75 ESR1 (0.44) LMNAMAPK1SMN1; SMN2ALDH1A1HTT

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
US-7645534-B2 Membrane electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2010-01-12 US disclosed