SCHEMBL11276779

SCHEMBL11276779

COC(=O)C(C)(Br)Oc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL21991451 0.84 PPARA (0.46) GAAALDH1A1MMP1MMP2MMP9
SCHEMBL11177838 0.82 GAA (0.44) GAAALDH1A1MMP1MMP2MMP9
SCHEMBL11274148 0.82 PPARA (0.56) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL1676663 0.81 KCNN4 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL11809524 0.80 GAA (0.41) GAAALDH1A1MMP1MMP2MMP9
SCHEMBL11276841 0.79 NPC1 (0.48) GAAALDH1A1MMP1MMP9MMP13
SCHEMBL16795995 0.74 SMN1; SMN2 (0.47) GAAALDH1A1KMT2AMEN1NPC1
SCHEMBL11838241 0.73 SMN1; SMN2 (0.46) GAAALDH1A1KMT2AMEN1NPC1
SCHEMBL10733316 0.72 PPARA (0.53) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL21991531 0.72 SSTR4 (0.53) GAAKMT2AMEN1MAPTHTT

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-0044972-A1 Process for the preparation of compounds of 2-aryloxy-acrylic acid BASF Aktiengesellschaft (DE) 1982-02-03 EP disclosed