SCHEMBL4946504

SCHEMBL4946504

CCC[C]1CCCC(C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10795868 0.88
SCHEMBL9472099 0.81
SCHEMBL910737 0.78
SCHEMBL7418885 0.74
SCHEMBL7421826 0.74
SCHEMBL11037166 0.73 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL457208 0.72
SCHEMBL258385 0.72
SCHEMBL258092 0.70
SCHEMBL10993644 0.70 CYP1A2 (0.35) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658593-A1 PROCESS FOR THE PREPARATION OF 1,2 SYNDIOTACTIC POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A COBALT COMPLEX WITH A PHOSPHINE LIGAND Versalis S.p.A. (IT) 2020-06-03 EP claimed
CN-106950235-B A kind of screening technique of the anticaking agent for coolant agent 河南华龙香料有限公司 2019-04-19 CN claimed
WO-2019021195-A1 PROCESS FOR THE PREPARATION OF 1,2 SYNDIOTACTIC POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A COBALT COMPLEX WITH A PHOSPHINE LIGAND VERSALIS S.P.A. (IT) 2019-01-31 WO claimed
CN-109803948-A Warming sensation compound 高砂香料工业株式会社 2019-05-24 CN disclosed
CN-108368035-A SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS 宝洁公司 2018-08-03 CN disclosed
CN-108136063-A Perfume dispersing device 弗门尼舍有限公司 2018-06-08 CN disclosed
EP-1299390-B1 PYRIMIDINE COMPOUNDS AND THEIR USE IN THE PREPARATION OF A TRIAZOLO -PYRIMIDINE CARBA NUCLEOSIDE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
EP-1292561-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
EP-1760066-A2 Processes for the preparation of cyclopropyl carboxylic acid derivatives and intermediates provided by these processes AstraZeneca AB (SE) 2007-03-07 EP disclosed