SCHEMBL13610217

SCHEMBL13610217

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 2/20 0.51
FAAH O00519 2/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL28856610 1.00 L3MBTL1 (0.60) L3MBTL1TDP1LMNAFAAHCHRM2
SCHEMBL5345902 0.90 FAAH (0.54) L3MBTL1TDP1LMNAFAAHMAPT
SCHEMBL10263928 0.86 TDP1 (0.53) L3MBTL1TDP1CHRM2CHRM1CHRM3
SCHEMBL25235296 0.81 L3MBTL1 (0.47) L3MBTL1TDP1LMNAFAAHMAPT
SCHEMBL25235298 0.81 L3MBTL1 (0.47) L3MBTL1TDP1LMNAFAAHMAPT
SCHEMBL30461322 0.81 L3MBTL1 (0.47) L3MBTL1TDP1LMNAFAAHMAPT
SCHEMBL10061567 0.81 L3MBTL1 (0.75) L3MBTL1TDP1CYP3A4CYP2D6CYP19A1
SCHEMBL7552891 0.80 CYP2A6 (0.61) L3MBTL1TDP1CHRM2CHRM1CHRM3
SCHEMBL8904555 0.80 CHRM2 (0.48) L3MBTL1TDP1CHRM2CHRM1CHRM3
SCHEMBL7546154 0.80 CHRNB2 (0.48) L3MBTL1TDP1CHRM2CHRM1CHRM3

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