SCHEMBL7577840

SCHEMBL7577840

CSCc1cc(Br)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
TP53 P04637 3/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 4/20 0.32
S100A4 P26447 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8491100 0.84 L3MBTL1 (0.40) TP53RAB9ANPC1LMNAMAPT
SCHEMBL8726663 0.81 HPGD (0.38) POLBRAB9ALMNAMAPTALDH1A1
SCHEMBL8813464 0.79 HPGD (0.42) MAPK1POLBABL1LMNAMAPT
SCHEMBL8754760 0.78 HSD17B10 (0.35) MAPK1TP53POLBLMNAMAPT
SCHEMBL8817757 0.77 POLB (0.34) POLB
SCHEMBL16014081 0.76 HPGD (0.39) MAPK1POLBRAB9AABL1MAPT
SCHEMBL8815593 0.76 ABL1 (0.31) MAPK1ABL1
SCHEMBL20932749 0.75 MAP2K1 (0.45) POLBRAB9ANPC1LMNAMAPT
SCHEMBL7575375 0.75 NR4A2 (0.46) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL8724282 0.74 KMT2A (0.33) LMNAKMT2AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
US-5721193-A 2-oximinomethyl-1-phenyl-1,3-propanedione derivatives as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-02-24 US disclosed
EP-0713482-A1 2-OXIMINOMETHYL-1-PHENYL-1,3-PROPANEDIONE DERIVATIVES AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1996-05-29 EP disclosed
WO-1995004716-A1 2-OXIMINOMETHYL-1-PHENYL-1,3-PROPANEDIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-02-16 WO disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed