SCHEMBL7576186

SCHEMBL7576186

CCSCc1c(Cl)ccc(C(=O)OC)c1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7572981 0.87 ABL1 (0.39) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL7582779 0.85 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL7576061 0.85 KMT2A (0.36) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL8724651 0.83 KDM4E (0.36) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL7584530 0.82 POLB (0.40) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL8492785 0.75 ABL1 (0.42) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL8488343 0.75 ABL1 (0.42) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL8747960 0.74 POLB (0.43) ABL1ALDH1A1RXFP1TSHRKMT2A
SCHEMBL8491173 0.73 CYP4F2 (0.44) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL6607515 0.72 ABL1 (0.38) ABL1ALDH1A1TSHRKMT2AMEN1

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