SCHEMBL7552036

SCHEMBL7552036

CCCCOC(=O)N(CC)c1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 3/20 0.32
THRA P10827 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7554533 0.94 SLC6A2 (0.33) ALDH1A1MAPTSLC6A2SLC6A4TP53
SCHEMBL7550331 0.89 SLC6A4 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL7557956 0.87 SLC6A4 (0.35) ALDH1A1MAPTSLC6A2SLC6A4TSHR
SCHEMBL7553022 0.83 SLC6A2 (0.33) SLC6A2SLC6A4TP53KMT2ACYP3A4
SCHEMBL7557094 0.81 KMT2A (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL7555545 0.81 SLC6A2 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL7555025 0.79 TSHR (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL7558246 0.78 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL7558243 0.78 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL7557892 0.78 SLC6A4 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed