SCHEMBL7790160

SCHEMBL7790160

CC(C)=CCC1(CC=C(C)C)CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
BCHE P06276 5/20 0.39
KDM1A O60341 3/20 0.38
MAOB P27338 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 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
SCHEMBL29501701 0.77 SIGMAR1 (0.43) SIGMAR1KDM1AMAOB
SCHEMBL2150153 0.74 SIGMAR1 (0.45) SIGMAR1KDM1AMAOBESR1ESR2
SCHEMBL11800619 0.74 KDM1A (0.44) SIGMAR1KDM1AMAOBLMNA
Phenol SCHEMBL9774501 0.73 ESR2 (0.40) SIGMAR1KDM1AMAOBESR1ESR2
SCHEMBL7782464 0.72 ESR2 (0.48) SIGMAR1KDM1AMAOBESR1ESR2
SCHEMBL31230954 0.71 KDM1A (0.44) SIGMAR1KDM1AMAOB
SCHEMBL29556714 0.70 KDM1A (0.44) SIGMAR1KDM1AMAOB
SCHEMBL7787282 0.70 KDM1A (0.48) SIGMAR1KDM1AMAOB
SCHEMBL8734058 0.70 KDM1A (0.44) SIGMAR1KDM1AMAOB
Ammonia Solution, Strong SCHEMBL27550700 0.70 ESR2 (0.47) SIGMAR1KDM1AMAOBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010029286-A1 Procatalysts, catalyst systems, and use in OLEFIN polymerization EASTMAN CHEMICAL COMPANY, A CORP. OF DELAWARE 2001-10-11 US disclosed
US-20010025005-A1 Procatalysts, catalyst systems, and use in olefin polymerization EASTMAN CHEMICAL COMPANY, A CORPORATION OF DELAWARE 2001-09-27 US disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed