SCHEMBL3679078

SCHEMBL3679078

CCCCC(CC)CC1CCCC(N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 3/20 0.36
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA2 P00918 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS1 P29475 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
SCHEMBL127965 0.88 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCHRM2
Oxirane SCHEMBL11123313 0.82 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL20543381 0.81 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL3682678 0.80 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL5050660 0.79 CYP1A2 (0.48) ALDH1A1TDP1CYP3A4TSHRCYP1A2
SCHEMBL9713236 0.73 CYP1A2 (0.50) ALDH1A1TDP1CYP3A4TSHRCYP1A2
SCHEMBL3239727 0.73 CYP1A2 (0.56) CYP1A2NOS1NOS2
SCHEMBL10971014 0.72 NOS1 (0.40) CYP1A2NOS1NOS2
SCHEMBL25120852 0.72 ALDH1A1 (0.34) ALDH1A1TDP1CYP3A4TSHRCYP1A2
SCHEMBL3681808 0.72 CYP1A2 (0.48) ALDH1A1CYP1A2NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
US-7723413-B2 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-05-25 US disclosed
EP-1715000-B1 METHOD AND COMPOSITION FOR CONTROL OF CRYSTALLIZATION RATE OF POLYOLEFIN RESIN, RESIN COMPOSITION AND RESIN MOLDING NEW JAPAN CHEM CO LTD (JP) 2010-03-10 EP disclosed
EP-2083045-A1 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding New Japan Chemical Co., Ltd. (JP) 2009-07-29 EP disclosed
US-20070142514-A1 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-06-21 US disclosed
CN-1898317-A Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD (JP) 2007-01-17 CN disclosed
EP-1715000-A1 METHOD AND COMPOSITION FOR CONTROL OF CRYSTALLIZATION RATE OF POLYOLEFIN RESIN, RESIN COMPOSITION AND RESIN MOLDING NEW JAPAN CHEMICAL CO.,LTD. (JP) 2006-10-25 EP disclosed