SCHEMBL8348941

SCHEMBL8348941

O=C1C=C(OC(=O)c2ccc3c(c2)C2(CCS3(=O)=O)OCCO2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8351357 0.77 RXRA (0.38) MAPTKMT2AALDH1A1
SCHEMBL8351362 0.73
SCHEMBL8351318 0.72
SCHEMBL8350780 0.72 RARA (0.32)
SCHEMBL30578029 0.66 MAPT (0.57) MAPTKMT2AALDH1A1
SCHEMBL25440082 0.65 KMT2A (0.60) MAPTHPGDKMT2AALDH1A1
SCHEMBL15133252 0.65 MAPT (0.43) MAPTHPGDKMT2AALDH1A1
SCHEMBL8552397 0.65 CPT1A (0.37) MAPTALDH1A1
SCHEMBL6942981 0.64 MAPT (0.60) MAPTKMT2AALDH1A1
SCHEMBL8891345 0.63

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-5952266-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-14 US disclosed