SCHEMBL6862583

SCHEMBL6862583

CCC1(CC)c2ccccc2C(CC)(CC)N1OC1(C#N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
BACE1 P56817 1/20 0.34
PGR P06401 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL18217969 0.68 PKM (0.33)
SCHEMBL9500670 0.68 PGR (0.32) PGR
SCHEMBL24507345 0.67 ALDH1A1 (0.31)
SCHEMBL11018435 0.66 PBRM1 (0.33) PGR
SCHEMBL14063566 0.64 GAA (0.36) HIF1ABACE1SLC6A4
SCHEMBL16435108 0.63
SCHEMBL29096400 0.63 HDAC4 (0.49) HIF1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27675045 0.62 MAOB (0.40) HIF1A
SCHEMBL4983584 0.62 PGR (0.34) PGR
SCHEMBL15071292 0.61 ALDH1A1 (0.34) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144496-B1 POLYMERIC STABILIZERS HAVING LOW POLYDISPERSITY CIBA SC HOLDING AG (CH) 2004-03-17 EP claimed
EP-1144496-B1 POLYMERIC STABILIZERS HAVING LOW POLYDISPERSITY CIBA SC HOLDING AG (CH) 2004-03-17 EP disclosed
US-6583245-B1 Ethylenically unsaturated compound (acrylate or acrylamide) having sterically hindered amine, hydroxyphenyl triazine, hydroxyphenylbenzotriazole or a o-hydroxy-benzophenone group; a nitroxyl free radical initiator CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-24 US disclosed