SCHEMBL13199372

SCHEMBL13199372

CC1CC(C)(C)NC(C)(C)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL168749 0.74 LMNA (0.43) LMNAALDH1A1HPGDALPL
SCHEMBL13799459 0.73 LMNA (0.36) LMNA
SCHEMBL17482277 0.73 LMNA (0.36) LMNA
SCHEMBL327787 0.73 RECQL (0.38) LMNARECQLALDH1A1HPGDALPL
SCHEMBL2994350 0.71 RECQL (0.37) LMNARECQLALDH1A1HPGDALPL
SCHEMBL4758990 0.69 RECQL (0.39) LMNARECQLALDH1A1ALPL
SCHEMBL19113810 0.69 RECQL (0.35) LMNARECQLALDH1A1ALPL
SCHEMBL5148878 0.69 SMN1; SMN2 (0.33) LMNA
SCHEMBL11051607 0.69 GAA (0.41) LMNARECQLALDH1A1
SCHEMBL5147929 0.69 LMNA (0.33) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed