SCHEMBL10828243

SCHEMBL10828243

C#CC(O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
PTGS1 P23219 4/20 0.61
PTGS2 P35354 4/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
CXCR1 P25024 2/20 0.61
CXCR2 P25025 2/20 0.61
CYP3A4 P08684 2/20 0.61
RECQL P46063 1/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
PMP22 Q01453 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CXCL8 P10145 1/20 0.61
THPO P40225 1/20 0.61
HIF1A Q16665 1/20 0.61
ATM Q13315 1/20 0.55

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
SCHEMBL12096689 0.88 ANPEP (0.53) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL9753175 0.83 TSHR (0.58) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL28914347 0.81 PTGS1 (0.58) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL2861854 0.80 MAPT (0.66) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10976601 0.80 PTGS1 (0.38) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL15264145 0.79 MAPT (0.64) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL5662535 0.78 LOXL2 (0.46) MAPTPTGS1PTGS2ALDH1A1CYP3A4
SCHEMBL31150150 0.77 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL4669024 0.77 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL11306147 0.77 MAPT (0.67) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed
US-4504491-A INSECTICIDE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-03-12 US disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed