SCHEMBL5314930

SCHEMBL5314930

CC#Cc1ccccc1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR8 Q9NR97 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL217030 0.82 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL2353493 0.81 FFAR1 (0.50) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL23704288 0.79 FFAR1 (0.46) CYP3A4CYP2D6CYP2C9SMN1; SMN2CYP1A2
SCHEMBL668402 0.78 LIPG (0.43) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL2119420 0.78 CYP3A4 (0.44) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL1726412 0.78 TSHR (0.45) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL10935201 0.78 LIPG (0.43) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL28073277 0.78 FFAR1 (0.50) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL9356039 0.77 LIPG (0.50) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5500837 0.76 FFAR1 (0.46) LIPGCYP3A4CYP2D6CYP2C9SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041166-A2 HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES THE LAGADO CORPORATION (US) 2007-04-12 WO disclosed