SCHEMBL13610214

SCHEMBL13610214

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 1/20 0.46
NOS1 P29475 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SYK P43405 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AURKB Q96GD4 3/20 0.42
INCENP Q9NQS7 3/20 0.42
NR5A1 Q13285 1/20 0.42
ENPP2 Q13822 1/20 0.42
LTA4H P09960 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL21494437 1.00 TLR8 (0.46) TLR8TLR7NOS1CYP1A2CYP2D6
SCHEMBL31658992 1.00 TLR8 (0.46) TLR8TLR7NOS1CYP1A2CYP2D6
SCHEMBL19317382 1.00 TLR8 (0.46) TLR8TLR7NOS1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL17654895 0.98 TLR8 (0.45) TLR8TLR7NOS1CYP1A2CYP2D6
SCHEMBL8126959 0.98 TLR8 (0.47) TLR8TLR7NOS1CYP1A2CYP2D6
SCHEMBL10263927 0.86 KDM4E (0.45) HPGDHSD17B10SYKKDM4EALDH1A1
SCHEMBL19306148 0.83 PARP10 (0.44) SYKKDM4EALDH1A1SMN1; SMN2AURKB
SCHEMBL23085723 0.81 HDAC3 (0.46) CYP1A2CYP2D6CYP2C9SYKKDM4E
SCHEMBL22401523 0.81 HRH1 (0.59) CYP1A2CYP2D6CYP2C9SYKKDM4E
SCHEMBL2095025 0.81 SMN1; SMN2 (0.44) CYP1A2CYP2D6CYP2C9SYKKDM4E

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