SCHEMBL7584530

SCHEMBL7584530

CCSCc1c(Cl)ccc(C(=O)OC)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ABL1 P00519 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HPGD P15428 4/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7574596 0.86 POLB (0.39) POLBABL1MCOLN3HPGDTP53
SCHEMBL8731572 0.82 POLB (0.37) POLBABL1MCOLN3HPGDTP53
SCHEMBL7576186 0.82 ABL1 (0.39) POLBABL1MCOLN3HPGDALDH1A1
SCHEMBL7572960 0.80 ABL1 (0.41) POLBABL1MCOLN3HPGDALDH1A1
SCHEMBL27326189 0.77 POLB (0.39) POLBABL1MCOLN3HPGDALDH1A1
SCHEMBL6607515 0.73 ABL1 (0.38) POLBABL1MCOLN3HPGDALDH1A1
SCHEMBL8389312 0.72 ABL1 (0.40) POLBABL1MCOLN3HPGDALDH1A1
SCHEMBL8488636 0.72 ABL1 (0.45) ABL1HPGDALDH1A1TSHRKMT2A
SCHEMBL8492639 0.72 ABL1 (0.45) ABL1HPGDALDH1A1TSHRKMT2A
SCHEMBL8747897 0.72 POLB (0.50) POLBABL1MCOLN3ALDH1A1TSHR

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