SCHEMBL11069029

SCHEMBL11069029

C=C(CC)C(=O)N(C)CCCN.C=C(CC)C(=O)N(C)CCCN.O=[Cr](=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL160822 0.93 EPHX2 (0.32) EPHX2CHRM2
Hydrochloric Acid SCHEMBL10760979 0.91 EPHX2 (0.31) EPHX2CHRM2
SCHEMBL11083734 0.83 CHRM2 (0.33) EPHX2CHRM2
SCHEMBL373677 0.82
SCHEMBL15304935 0.78 EPHX2 (0.44) EPHX2
SCHEMBL3696658 0.78
SCHEMBL446740 0.74 PAOX (0.35) EPHX2CHRM2
SCHEMBL1029199 0.74
SCHEMBL1567820 0.74 TSHR (0.35) EPHX2
SCHEMBL1072344 0.74 CA12 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464436-A CURABLE PROTECTIVE UNDERCOATINGS FOR THERMOPLASTIC MOLDINGS COATED WITH THIN METAL FILM DESOTO, INC. (US) 1984-08-07 US disclosed