SCHEMBL29960

SCHEMBL29960

CC[N+](CC)(CC)c1cc(SC(C)(C)C)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2733009 0.74 AR (0.42) SLC6A4ARKDM4EHSD17B10
SCHEMBL7209407 0.69 TSHR (0.48) SLC6A4ARKDM4EHSD17B10
SCHEMBL9331677 0.66 ESR1 (0.52) ARKDM4EHSD17B10
SCHEMBL9712027 0.63 ACHE (0.43)
SCHEMBL3466865 0.63 SLC6A4 (0.34) SLC6A4ARKDM4EHSD17B10
SCHEMBL333951 0.62 SLC6A4 (0.47) SLC6A4ARKDM4EHSD17B10
SCHEMBL31351861 0.62 SLC6A4 (0.42) SLC6A4ARKDM4EHSD17B10
Water SCHEMBL11596575 0.62 ACHE (0.41)
Bromide SCHEMBL123536 0.62 ACHE (0.41)
SCHEMBL28774322 0.62 SLC6A4 (0.57) SLC6A4KDM4EHSD17B10

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
EP-2609107-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES The Royal Institution for the Advancement of Learning / McGill University (CA) 2013-07-03 EP disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed