SCHEMBL29003530

SCHEMBL29003530

C=C1C=CC=CC1Nc1ccccc1.O=C1CCCCCO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NAMPT P43490 1/20 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
SCHEMBL28392491 0.74 NFKB1 (0.35) NFKB1NFKB2RELA
Benzene SCHEMBL27691620 0.69 CA1 (0.80) CA1CA9NAMPT
SCHEMBL30862598 0.68 NFKB1 (0.35) CA1NFKB1NFKB2RELA
Biphenyl SCHEMBL28765365 0.68 CA1 (0.64) CA1CA9NAMPT
Styrene SCHEMBL19063432 0.68 CA1 (0.53) CA1CA9NAMPT
Phenol SCHEMBL29057824 0.65 CA1 (0.59) CA1CA9NAMPT
Toluene SCHEMBL27836484 0.65 CA1 (0.59) CA1CA9NAMPT
Toluene SCHEMBL28289326 0.65 CA1 (0.59) CA1CA9NAMPT
Phenol SCHEMBL27956101 0.65 CA1 (0.59) CA1CA9NAMPT
Diphenylsulfane SCHEMBL25418528 0.64 CA1 (0.57) CA1CA9NAMPT

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
CN-115975983-A Application of alkali-resistant broad-spectrum plastic degrading enzyme 北京理工大学 2023-04-18 CN disclosed