SCHEMBL13610209

SCHEMBL13610209

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GNAO1 P09471 8/20 0.44
GNAI3 P08754 7/20 0.44
GNAI1 P63096 7/20 0.44
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GBA1 P04062 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL20017937 1.00 ALDH1A1 (0.49) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL25715499 0.93 SMN1; SMN2 (0.46) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL13700362 0.93 SMN1; SMN2 (0.46) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL19833463 0.91 ALDH1A1 (0.41) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL16181646 0.91 ALDH1A1 (0.41) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL13610211 0.90 ALDH1A1 (0.46) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL13610213 0.89 ALDH1A1 (0.52) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL2846483 0.89 ALDH1A1 (0.52) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL19975919 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19975900 0.87 ALDH1A1 (0.40) 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 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