SCHEMBL8885756

SCHEMBL8885756

CC(C)OC(=O)c1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
DHODH Q02127 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR1H4 Q96RI1 3/20 0.31
ALOX15 P16050 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL8489351 0.89 DHODH (0.36) ALDH1A1LMNAPOLBDHODHSLC6A3
SCHEMBL8491586 0.87 ALDH1A1 (0.35) ALDH1A1LMNAPOLBDHODHSLC6A2
SCHEMBL8887759 0.87 DHODH (0.35) ALDH1A1DHODHSMN1; SMN2NR1H4EPHX2
SCHEMBL9114255 0.86 SLC6A2 (0.35) ALDH1A1LMNAPOLBDHODHSLC6A2
SCHEMBL8889888 0.85 DHODH (0.32) ALDH1A1DHODHSMN1; SMN2EPHX2
SCHEMBL9116568 0.84 DHODH (0.31) DHODHNR1H4
SCHEMBL8492585 0.84 PDE2A (0.32) DHODH
SCHEMBL8886439 0.83 ALDH1A1 (0.33) ALDH1A1LMNAPOLBDHODHSLC6A2
SCHEMBL8494384 0.83 SMYD3 (0.41) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7924451 0.82 DHODH (0.34) LMNADHODHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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