SCHEMBL6766479

SCHEMBL6766479

CC(C)N(C(C)C)P(OCCC#N)OCCCCCCNC(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.30

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
SCHEMBL27050920 0.89 TSHR (0.44) ALDH1A1SMN1; SMN2TSHR
SCHEMBL24429198 0.86 EPHX2 (0.44) ALDH1A1
SCHEMBL27050825 0.86 EPHX2 (0.44) ALDH1A1
SCHEMBL31465144 0.86 EPHX2 (0.44) ALDH1A1
SCHEMBL18104358 0.86 EPHX2 (0.44) ALDH1A1
SCHEMBL27055720 0.85 EPHX1 (0.44) SMN1; SMN2
SCHEMBL27052622 0.85 EPHX1 (0.44) SMN1; SMN2
SCHEMBL27097854 0.85 EPHX1 (0.44) SMN1; SMN2
SCHEMBL714350 0.84 MEN1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL1687468 0.84 ALDH1A1 (0.31) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004044141-A2 CONJUGATED OLIGOMERIC COMPOUNDS AND THEIR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
EP-1112279-A4 METHODS FOR THE PREPARATION OF CONJUGATED OLIGOMERS ISIS PHARMACEUTICALS INC (US) 2002-06-19 EP disclosed
EP-1112279-A1 METHODS FOR THE PREPARATION OF CONJUGATED OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 2001-07-04 EP disclosed
WO-2000014098-A1 METHODS FOR THE PREPARATION OF CONJUGATED OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed