SCHEMBL18489451

SCHEMBL18489451

CCC(CC)=Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.53
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL21192708 0.85 SCN2A (0.45) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL21192706 0.85 SCN2A (0.45) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL13967944 0.82 ALDH1A1 (0.36) SIGMAR1CYP2D6CYP1A2CYP3A4TP53
SCHEMBL947060 0.78 SIGMAR1 (0.47) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL947061 0.78 SIGMAR1 (0.47) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL18543888 0.77 SIGMAR1 (0.51) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL18543887 0.77 SIGMAR1 (0.51) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL18351227 0.76 SIGMAR1 (0.48) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4172132 0.74 SIGMAR1 (0.43) SIGMAR1CYP2D6CYP1A2CYP3A4TP53
SCHEMBL286577 0.74 CYP1A2 (0.48) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135699-B1 CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-07-21 EP claimed
US-10184017-B2 Catalyst component for propene polymerization, preparation method thereof, and catalyst containing the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-01-22 US claimed
EP-3135699-A1 CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME China Petroleum & Chemical Corporation (CN) 2017-03-01 EP claimed
US-20170044280-A1 Catalyst Component for Propene Polymerization, Preparation Method Thereof, and Catalyst Containing the Same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-02-16 US claimed
EP-3135699-B1 CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-07-21 EP disclosed
US-10184017-B2 Catalyst component for propene polymerization, preparation method thereof, and catalyst containing the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-01-22 US disclosed
EP-3135699-A1 CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME China Petroleum & Chemical Corporation (CN) 2017-03-01 EP disclosed
US-20170044280-A1 Catalyst Component for Propene Polymerization, Preparation Method Thereof, and Catalyst Containing the Same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-02-16 US disclosed