SCHEMBL8930735

SCHEMBL8930735

CC1(C)Oc2c(c([C](c3c4c(c(SCCO)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c4c(c(SCCO)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c(c2SCCO)OC(C)(C)O3)O1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 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
SCHEMBL8930666 0.61 TSHR (0.36) SMN1; SMN2
SCHEMBL8930694 0.60
SCHEMBL8720188 0.60
SCHEMBL8930693 0.60 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL9713876 0.57 SMN1; SMN2 (0.57) SMN1; SMN2
SCHEMBL8721289 0.53
SCHEMBL11338980 0.52 SCN4A (0.46) SMN1; SMN2
SCHEMBL17722530 0.52 SMN1; SMN2 (0.62) SMN1; SMN2
SCHEMBL22497402 0.51 KDM4E (0.51) SMN1; SMN2
SCHEMBL15933601 0.50 SMN1; SMN2 (0.41) SMN1; SMN2

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-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed