SCHEMBL7554512

SCHEMBL7554512

CCN(c1c(Cl)cccc1C(=O)O)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL7550506 0.83 TSHR (0.47) MAPK1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7638566 0.82 LMNA (0.42) MAPK1TSHRALDH1A1TP53HSD17B10
SCHEMBL7552814 0.80 LMNA (0.40) MAPK1ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL7554929 0.79 TSHR (0.40) MAPK1TSHRALDH1A1TP53HSD17B10
SCHEMBL7554537 0.75 KMT2A (0.54) MAPK1ALDH1A1LMNAKMT2AALOX15
SCHEMBL7553433 0.75 ALDH1A1 (0.37) MAPK1ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL6831109 0.74 TSHR (0.57) TSHRALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL7550720 0.73 LMNA (0.47) MAPK1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7552015 0.73 HSD17B10 (0.36) TSHRALDH1A1HSD17B10MMP9SMN1; SMN2
SCHEMBL5186948 0.71 KMT2A (0.47) MAPK1TSHRALDH1A1HSD17B10KMT2A

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-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