SCHEMBL7063115

SCHEMBL7063115

C=CCC1CCCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.42
NOS2 P35228 4/20 0.42
NOS3 P29474 2/20 0.42
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CHRM5 P08912 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2502334 1.00 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL7740961 1.00 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL2499186 1.00 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL89025 1.00
Cyclohexane SCHEMBL3694033 1.00 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL2500447 1.00 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL89861 0.97
SCHEMBL28837982 0.94 NOS1 (0.42) NOS1NOS2NOS3ADH1BADH1C
Bromomethane SCHEMBL11239584 0.92 NOS1 (0.38) NOS1NOS2NOS3ADH1BADH1C
SCHEMBL1080501 0.91

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
WO-2004041770-A1 CHEMICALLY AMPLIFIED POLYMER HAVING PENDANT GROUP WITH CYCLODODECYL AND RESIST COMPOSITION COMPRISING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2004-05-21 WO claimed
WO-2004041770-A1 CHEMICALLY AMPLIFIED POLYMER HAVING PENDANT GROUP WITH CYCLODODECYL AND RESIST COMPOSITION COMPRISING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2004-05-21 WO disclosed