SCHEMBL8495609

SCHEMBL8495609

CC(C)OC(=O)c1c(S(C)(=O)=O)ccc(C(=O)c2cc(C3CC3)on2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMYD3 Q9H7B4 10/20 0.39
STAT1 P42224 4/20 0.39
STAT3 P40763 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
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
SCHEMBL8494384 0.85 SMYD3 (0.41) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8491091 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8889888 0.83 DHODH (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8607786 0.81 STAT3 (0.45) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8489116 0.79 SMYD3 (0.39) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8491604 0.78 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8492054 0.78 RAB9A (0.42) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8606609 0.77 STAT3 (0.49) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8491928 0.76 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBSMYD3STAT1
SCHEMBL8387502 0.74 SMYD3 (0.42) SMN1; SMN2LMNAPOLBSMYD3STAT1

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