SCHEMBL7787282

SCHEMBL7787282

CC(C)CC1(CC(C)C)CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
MAOB P27338 1/20 0.41
CASP6 P55212 1/20 0.40
SIGMAR1 Q99720 8/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL19130508 0.79 KDM1A (0.46) KDM1AMAOBCASP6SIGMAR1TSHR
SCHEMBL19124500 0.79 KDM1A (0.46) KDM1AMAOBCASP6SIGMAR1TSHR
SCHEMBL15891592 0.79 KDM1A (0.46) KDM1AMAOBCASP6SIGMAR1TSHR
SCHEMBL2150153 0.79 SIGMAR1 (0.45) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL7782464 0.76 ESR2 (0.48) KDM1AMAOBSIGMAR1
SCHEMBL31230954 0.75 KDM1A (0.44) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL11800619 0.75 KDM1A (0.44) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL8734058 0.74 KDM1A (0.44) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL29556714 0.74 KDM1A (0.44) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL7788015 0.73 SIGMAR1 (0.51) KDM1AMAOBSIGMAR1

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