SCHEMBL10334693

SCHEMBL10334693

COC(=O)COC(=O)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN1A P35498 1/20 0.40

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
SCHEMBL166151 0.93 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL10334563 0.84 KCNA5 (0.50) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL341297 0.83 CYP2D6 (0.50) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL10334713 0.81 KCNA5 (0.51) L3MBTL1HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL9292689 0.81 LMNA (0.49) ALDH1A1KMT2ATSHRHTR1AADRA1D
SCHEMBL10335672 0.79 SLC6A4 (0.39) ALDH1A1KMT2AL3MBTL1TSHRHTR1A
SCHEMBL9292335 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1POLBMAPT
SCHEMBL10334704 0.78 L3MBTL1 (0.49) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL16672470 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL10335667 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1MEN1POLB

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed