SCHEMBL8494384

SCHEMBL8494384

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
STAT1 P42224 4/20 0.39
STAT3 P40763 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8489116 0.86 SMYD3 (0.39) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8495609 0.85 SMN1; SMN2 (0.40) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8492054 0.83 RAB9A (0.42) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8885756 0.83 ALDH1A1 (0.33) SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8491604 0.82 SMN1; SMN2 (0.40) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8389485 0.79 RAB9A (0.45) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL27403318 0.79 STAT3 (0.47) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8491091 0.78 SMN1; SMN2 (0.47) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8389460 0.76 MEN1 (0.49) SMYD3SMN1; SMN2LMNAPOLBSTAT1
SCHEMBL8489224 0.76 MEN1 (0.45) SMYD3SMN1; SMN2LMNAPOLBSTAT1

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