SCHEMBL8489353

SCHEMBL8489353

CCOC(=O)c1ccc(Br)c(OCCOC)c1SC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SYK P43405 1/20 0.36
HPGD P15428 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
SCHEMBL8307840 0.87 MAPT (0.41) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8489108 0.87 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8526820 0.85 KMT2A (0.44) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8491964 0.85 KMT2A (0.44) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8490735 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL8492762 0.80 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8307714 0.78 TSHR (0.38) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8307721 0.78 TSHR (0.38) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL31522087 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8309085 0.74 CYP4F2 (0.42) ALDH1A1MEN1KMT2AMAPTNPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0560483-A1 4 Benzopyl isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed