SCHEMBL8004702

SCHEMBL8004702

COC(=O)C(C(=O)C1CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
SLC6A3 Q01959 6/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 1/20 0.47
DHFR P00374 1/20 0.47
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL29105688 0.84 CYP19A1 (0.44) KMT2AALDH1A1LMNATSHR
SCHEMBL3598733 0.82 KMT2A (0.69) KMT2ASLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8007655 0.80 SRC (0.61) KMT2AALDH1A1LMNAMEN1RECQL
SCHEMBL23833545 0.80 TSHR (0.43) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL27830689 0.80 KMT2A (0.67) KMT2ASLC6A3SLC6A2SLC6A4DHFR
SCHEMBL2914808 0.78 KMT2A (0.64) KMT2AMMP8ALDH1A1LMNATSHR
SCHEMBL4707996 0.77 SLC6A3 (0.52) SLC6A3SLC6A4ALDH1A1
SCHEMBL14014011 0.77 LTA4H (0.48) KMT2ALMNA
SCHEMBL11031397 0.77 KMT2A (0.62) KMT2AMMP8ALDH1A1LMNATSHR
SCHEMBL6959628 0.77 KMT2A (0.62) KMT2AMMP8ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066443-C 1,3-oxazin-4-one deriuatives as herbicides RHONE POULENC AGRICULTURE (GB) 2001-05-30 CN disclosed
US-6028032-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD. (GB) 2000-02-22 US disclosed
CN-1193970-A 1, 3-oxazin-4-one derivative herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN disclosed
EP-0833821-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-08 EP disclosed
WO-1997000865-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-01-09 WO disclosed