SCHEMBL13610202

SCHEMBL13610202

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
NAAA Q02083 3/20 0.43
EPHX1 P07099 2/20 0.41
TSHR P16473 2/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 2/20 0.39
GBA2 Q9HCG7 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11848695 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL3002273 0.94 GNAI3 (0.42) GNAI3GNAO1GNAI1NAAATSHR
SCHEMBL31221629 0.91 TSHR (0.45) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL13610195 0.91 TSHR (0.45) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL13610197 0.90 GNAI3 (0.53) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL6063290 0.87 PPM1B (0.41) GNAI3GNAO1GNAI1TSHRSMN1; SMN2
SCHEMBL6050362 0.84 SLC6A1 (0.47) TSHREPHX2SMN1; SMN2
SCHEMBL4917731 0.83 GNAI3 (0.47) GNAI3GNAO1GNAI1EPHX1TSHR
Bromide SCHEMBL11562531 0.82 GNAI3 (0.46) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL1296678 0.81 NAAA (0.59) NAAAEPHX1TSHREPHX2PPARG

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
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed