SCHEMBL7801131

SCHEMBL7801131

COC=C(Oc1ccccc1C(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 3/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SLC6A2 P23975 1/20 0.42
GAA P10253 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
SCHEMBL7801127 1.00 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL7754320 0.88 KMT2A (0.44) ALDH1A1TDP1HTTSLC6A3LMNA
SCHEMBL7754319 0.88 KMT2A (0.44) ALDH1A1TDP1HTTSLC6A3LMNA
SCHEMBL7804579 0.87 KMT2A (0.45) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL7804581 0.87 KMT2A (0.45) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL7795824 0.84 SLC6A3 (0.42) ALDH1A1TDP1L3MBTL1TSHRHTT
SCHEMBL7795827 0.84 SLC6A3 (0.42) ALDH1A1TDP1L3MBTL1TSHRHTT
SCHEMBL7795952 0.83 NPC1 (0.52) ALDH1A1L3MBTL1TSHRHTTSLC6A3
SCHEMBL7795956 0.83 NPC1 (0.52) ALDH1A1L3MBTL1TSHRHTTSLC6A3
SCHEMBL7801875 0.83 SLC6A3 (0.41) TDP1L3MBTL1TSHRHTTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed