SCHEMBL13635001

SCHEMBL13635001

CCC[C@@H](CCN)CCCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34
CYP3A4 P08684 1/20 0.33
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 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
SCHEMBL28084079 0.86 DNM1 (0.43) LMNAALDH1A1TDP1CYP3A4
SCHEMBL2216199 0.86 ALDH1A1 (0.46) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL6011981 0.85 LMNA (0.46) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL11127804 0.84 LMNA (0.40) LMNASPHK1TRPV1TRPA1
SCHEMBL5505106 0.84 LMNA (0.50) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL14612506 0.84 LMNA (0.50) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL11127805 0.84 LMNA (0.40) LMNASPHK1TRPV1TRPA1
SCHEMBL11609968 0.84 LMNA (0.50) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL117273 0.84 LMNA (0.50) LMNAALDH1A1TDP1OPRM1SPHK1
SCHEMBL11319259 0.84 LMNA (0.40) LMNASPHK1TRPV1TRPA1

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-20090275881-A1 OPTIMIZING THERAPY OUTCOMES FOR PERITONEAL DIALYSIS BAXTER INTERNATIONAL INC. (US) 2009-11-05 US disclosed