SCHEMBL13610213

SCHEMBL13610213

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GNAO1 P09471 12/20 0.50
GNAI3 P08754 11/20 0.50
GNAI1 P63096 11/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL2846483 1.00 ALDH1A1 (0.52) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL14395367 0.92 SMN1; SMN2 (0.48) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL20017937 0.89 ALDH1A1 (0.49) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL13610209 0.89 ALDH1A1 (0.49) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL130841 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL8434237 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL13923572 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL125673 0.83 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL11995969 0.82 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL130814 0.82 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB

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