SCHEMBL7554895

SCHEMBL7554895

CCCCOC(=O)Nc1c(C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
HPGD P15428 6/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
CSNK2A2 P19784 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
SCHEMBL7552487 0.92 MAPK1 (0.44) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL11524084 0.87 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7550444 0.86 NLRP3 (0.49) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL11522339 0.82 EPHX1 (0.51) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7558175 0.80 CLCN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL9745408 0.79 RAB9A (0.68) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL9150246 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7553085 0.75 HPGD (0.44) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL3840137 0.75 RAB9A (0.47) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL8578051 0.74 KDM4E (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 8 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
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-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed