SCHEMBL8465110

SCHEMBL8465110

CC1=C(C)C(CCCN(C)C)C(C)=C1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
DNM1 Q05193 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
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
SCHEMBL8467410 0.85 HTR2A (0.39) HTR2AHRH1ALDH1A1TSHRHRH3
SCHEMBL3226604 0.72 ALDH1A1 (0.40) ALDH1A1TSHRCYP1A2
SCHEMBL7648197 0.72 ALDH1A1 (0.40) ALDH1A1TSHRCYP1A2
SCHEMBL8465157 0.71 HTR2A (0.37) HTR2AHRH1
SCHEMBL13049890 0.67 LMNA (0.36) ALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL3220532 0.66 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL4197779 0.66 ALDH1A1 (0.34) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL32685440 0.66 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8164102 0.64
SCHEMBL21216 0.62 ALDH1A1 (0.91) ALDH1A1TSHRDNM1SIGMAR1

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-5986029-A POLYMERIZATION CATALYSTS FOR OLEFINS USING TRANSITION METAL COMPLEXES AND COCATALYST DSM N.V. (NL) 1999-11-16 US disclosed
CN-1171794-A Catalyst composition and process for olefin polymerization DSM NV (NL) 1998-01-28 CN disclosed
EP-0789718-A1 CATALYST COMPOSITION AND PROCESS FOR THE POLYMERIZATION OF AN OLEFIN DSM N.V. (NL) 1997-08-20 EP disclosed
WO-1996013529-A1 CATALYST COMPOSITION AND PROCESS FOR THE POLYMERIZATION OF AN OLEFIN DSM N.V. (NL) 1996-05-09 WO disclosed