SCHEMBL7574596

SCHEMBL7574596

COC(=O)c1ccc(Cl)c(CSC)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ABL1 P00519 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7584530 0.86 POLB (0.40) POLBMCOLN3ABL1MRGPRX4ALDH1A1
SCHEMBL8731572 0.85 POLB (0.37) POLBMCOLN3ABL1MRGPRX4ALDH1A1
SCHEMBL7572981 0.82 ABL1 (0.39) POLBMCOLN3ABL1ALDH1A1RXFP1
SCHEMBL7574592 0.82 ABL1 (0.39) POLBABL1ALDH1A1TSHRMEN1
SCHEMBL7572960 0.82 ABL1 (0.41) POLBMCOLN3ABL1MRGPRX4ALDH1A1
SCHEMBL7578223 0.82 ABL1 (0.41) ABL1ALDH1A1RXFP1TSHRMEN1
SCHEMBL27326189 0.79 POLB (0.39) POLBMCOLN3ABL1MRGPRX4ALDH1A1
SCHEMBL8729830 0.79 CES2 (0.42) POLBMCOLN3ABL1ALDH1A1TSHR
SCHEMBL8391653 0.77 ABL1 (0.41) ABL1MRGPRX4ALDH1A1RXFP1TSHR
SCHEMBL8389312 0.75 ABL1 (0.40) POLBMCOLN3ABL1MRGPRX4ALDH1A1

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 3 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
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed