SCHEMBL100587

SCHEMBL100587

O=C(O)Nc1cc(CCC(=O)Nc2ccc(CO)c(F)c2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
HCAR2 Q8TDS4 4/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
GAA P10253 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MAPK14 Q16539 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
SCHEMBL100326 0.88 HCAR2 (0.46) HCAR2MEN1ALDH1A1KMT2ALMNA
SCHEMBL100288 0.88 PTGDR2 (0.46) RORCHCAR2MEN1KMT2AMAPT
SCHEMBL135606 0.86 HCAR2 (0.48) RORCHCAR2MEN1KMT2ALMNA
SCHEMBL98704 0.86 AKR1C3 (0.51) RORCHCAR2MEN1KMT2ALMNA
SCHEMBL99091 0.85 RAB9A (0.51) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL100524 0.84 RORC (0.43) RORCHCAR2MEN1ALDH1A1KMT2A
SCHEMBL99215 0.83 AKR1C3 (0.49) HCAR2MEN1ALDH1A1KMT2ALMNA
SCHEMBL102437 0.83 RORC (0.48) RORCMEN1ALDH1A1KMT2ALMNA
SCHEMBL101227 0.82 NPC1 (0.45) RORCHCAR2MEN1ALDH1A1KMT2A
SCHEMBL99615 0.82 RAB9A (0.55) RORCHCAR2MEN1KMT2ALMNA

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-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed