SCHEMBL27740974

SCHEMBL27740974

C=CCc1c(O)ccc(C(N)(CC=C)CC=C)c1CC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
SRD5A1 P18405 1/20 0.40
XDH P47989 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
AKR1B1 P15121 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH2 P05091 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 3/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL323547 0.79 XDH (0.54) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL1907546 0.77 GABRA1 (0.38) GABRA1GABRB2XDHMEN1GAA
Hydrogen Sulfide SCHEMBL6721312 0.77 XDH (0.52) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL4370066 0.77 SRD5A1 (0.42) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL6572591 0.76 SRD5A1 (0.45) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL10614506 0.75 GABRA1 (0.40) GABRA1GABRB2MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL10751108 0.73 GABRA1 (0.39) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL6013229 0.73 GABRA1 (0.52) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL5690395 0.73 ALDH1A1 (0.42) GABRA1GABRB2MAPTKMT2AALDH1A1
SCHEMBL9418486 0.72 GABRA1 (0.37) GABRA1GABRB2XDHMEN1GAA

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
CN-101434672-B Method for preparing thermostable syndiotactic 1,2-polybutadiene thermoplastic elastomer CHANGCHUN APPLIED CHEMISTRY 2011-05-04 CN claimed
CN-101434671-B Method for preparing thermostable atactic 1,2-polybutadiene rubber CHANGCHUN APPLIED CHEMISTRY 2011-02-16 CN claimed
CN-101434671-A Method for preparing thermostable atactic 1,2-polybutadiene rubber CHANGCHUN APPLIED CHEMISTRY (CN) 2009-05-20 CN claimed
CN-101434672-A Method for preparing thermostable syndiotactic 1,2-polybutadiene thermoplastic elastomer CHANGCHUN APPLIED CHEMISTRY (CN) 2009-05-20 CN claimed
CN-101434672-B Method for preparing thermostable syndiotactic 1,2-polybutadiene thermoplastic elastomer CHANGCHUN APPLIED CHEMISTRY 2011-05-04 CN disclosed
CN-101434671-B Method for preparing thermostable atactic 1,2-polybutadiene rubber CHANGCHUN APPLIED CHEMISTRY 2011-02-16 CN disclosed
CN-101434671-A Method for preparing thermostable atactic 1,2-polybutadiene rubber CHANGCHUN APPLIED CHEMISTRY (CN) 2009-05-20 CN disclosed
CN-101434672-A Method for preparing thermostable syndiotactic 1,2-polybutadiene thermoplastic elastomer CHANGCHUN APPLIED CHEMISTRY (CN) 2009-05-20 CN disclosed