SCHEMBL1241235

SCHEMBL1241235

CCCCCN(C)CCCO.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
DNM1 Q05193 3/20 0.46
GGPS1 O95749 4/20 0.46
FDPS P14324 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRM1 P35372 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM5A P29375 3/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5C P41229 1/20 0.43

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
SCHEMBL717534 0.97 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL1403908 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL4880552 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL29174000 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL7626625 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL23016786 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL1403868 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL10398804 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL20756484 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2
SCHEMBL27685183 0.95 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HSD17B10S1PR2

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
WO-2011016738-A1 A PROCESS FOR THE SYNTHESIS OF 1-HYDROXY-3-(N-METHYLPENTYLAMINO) PROPYLIDENE BISPHOSPHONIC ACID MONOSODIUM SALT, MONOHYDRATE ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2011-02-10 WO disclosed