SCHEMBL7550856

SCHEMBL7550856

COC(=O)N(CC(C)C)c1cc(Cl)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
STAT3 P40763 1/20 0.33
KCNH2 Q12809 1/20 0.33
DHODH Q02127 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
IDO1 P14902 2/20 0.31
SMYD3 Q9H7B4 2/20 0.31
IDH1 O75874 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL7558422 0.89 TSHR (0.36) SLC6A3STAT3DHODHIDO1ALDH1A1
SCHEMBL7552064 0.88 STAT3 (0.34) SLC6A3STAT3DHODHSMN1; SMN2IDO1
SCHEMBL27489735 0.85 STAT3 (0.35) SLC6A3STAT3DHODHSMN1; SMN2IDO1
SCHEMBL7553047 0.84 STAT3 (0.36) SLC6A3STAT3DHODHALDH1A1NPC1
SCHEMBL7552958 0.82 TP53 (0.38) SLC6A3SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL7557883 0.81 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1RAB9AKMT2ATSHR
SCHEMBL7550298 0.79 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1POLBRAB9AKMT2A
SCHEMBL7557056 0.79 KMT2A (0.35) SMN1; SMN2ALDH1A1RAB9AKMT2ATSHR
SCHEMBL8140276 0.78 DHODH (0.33) DHODHLMNAPOLB
SCHEMBL7552362 0.78 DHODH (0.35) KCNH2DHODHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US claimed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN claimed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP claimed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO claimed
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed