SCHEMBL7714072

SCHEMBL7714072

C=CC=C(Cl)C=C(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14540221 1.00 PTGS1 (0.33) PTGS1CYP2C9ALDH1A1
SCHEMBL1292100 0.77 PTGS1 (0.35) PTGS1CYP2C9ALDH1A1
SCHEMBL27609092 0.77 PTGS1 (0.40) PTGS1CYP2C9ALDH1A1
SCHEMBL13561045 0.77 ALDH1A1 (0.39) PTGS1CYP2C9ALDH1A1
SCHEMBL183973 0.76
SCHEMBL158024 0.76
SCHEMBL24311441 0.75 CRBN (0.30)
SCHEMBL14385179 0.74 ALDH1A1 (0.36) PTGS1CYP2C9ALDH1A1
SCHEMBL24180846 0.74 PTGS1 (0.33) PTGS1CYP2C9ALDH1A1
Ethylene SCHEMBL15476393 0.74 PTGS1 (0.44) PTGS1ALDH1A1

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-6365278-B1 Multilayer material, process of preparation and applications HUTCHINSON (FR) 2002-04-02 US claimed