SCHEMBL8489116

SCHEMBL8489116

CC(C)OC(=O)c1c(C(F)(F)F)ccc(C(=O)c2cc(C3CC3)on2)c1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT1 P42224 3/20 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
SCHEMBL8494384 0.86 SMYD3 (0.41) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL8489373 0.84 SMN1; SMN2 (0.38) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL8887759 0.84 DHODH (0.35) SMN1; SMN2
SCHEMBL8491666 0.83 POLB (0.36) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL8495609 0.79 SMN1; SMN2 (0.40) SMYD3LMNAPOLBSMN1; SMN2STAT1
SCHEMBL8391797 0.75 MEN1 (0.41) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL8389460 0.74 MEN1 (0.49) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL8489224 0.73 MEN1 (0.45) SMYD3LMNAPOLBSMN1; SMN2MEN1
SCHEMBL3092594 0.72 MEN1 (0.52) SMYD3MEN1KMT2A
SCHEMBL8491091 0.72 SMN1; SMN2 (0.47) SMYD3LMNAPOLBSMN1; SMN2MEN1

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-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