SCHEMBL9644264

SCHEMBL9644264

CC=CNOc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
LTA4H P09960 3/20 0.36
TSHR P16473 1/20 0.36
HTR1B P28222 2/20 0.33
HTR1D P28221 1/20 0.33
KCNA3 P22001 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
TRPA1 O75762 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL55401 0.71 TSHR (0.44) CA4LTA4HTSHRKCNA3
SCHEMBL11421515 0.71 LTA4H (0.39) CA4LTA4HTSHRHTR1BHTR1D
Hydrochloric Acid SCHEMBL11627153 0.70 TSHR (0.42) CA4LTA4HTSHRKCNA3
SCHEMBL12153394 0.68 RECQL (0.51) LTA4HTSHRMAOA
SCHEMBL18359404 0.68 TSHR (0.43) TSHR
SCHEMBL4547560 0.67
SCHEMBL11581778 0.67 CA4 (0.48) CA4LTA4HTSHRHTR1BHTR1D
SCHEMBL8720461 0.67 CA4 (0.42) CA4LTA4HTSHRHTR1BHTR1D
SCHEMBL12179916 0.67 LTA4H (0.35) CA4LTA4HTSHRKCNA3
SCHEMBL11621941 0.67 ALDH1A1 (0.40) CA4LTA4HTSHRCA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120824-A Molding materials based on unsaturated monomers containing imide groups; engineering thermoplastics; toughness; heat resistance TECHNOCHEMIE GMBH VERFAHRENSTECHNIK (DE) 1992-06-09 US disclosed
EP-0375079-A2 Alkenylphoxylimide modified polyimide Technochemie GmbH - Verfahrenstechnik (DE) 1990-06-27 EP disclosed