SCHEMBL23619692

SCHEMBL23619692

O=CNCCNCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.40
ADH1A P07327 3/20 0.40
ADH7 P40394 3/20 0.40
ADH1C P00326 2/20 0.37
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
EPHX1 P07099 1/20 0.36
ADH4 P08319 1/20 0.36
LTA4H P09960 1/20 0.34
LMNA P02545 1/20 0.33
PRMT1 Q99873 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL163217 0.84 LMNA (0.44) CA1CA2LMNA
SCHEMBL10988936 0.84 LMNA (0.44) CA1CA2LMNA
SCHEMBL16995337 0.83 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL6343644 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
Water SCHEMBL4057424 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
SCHEMBL1684976 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
SCHEMBL18160753 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
SCHEMBL1644077 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
SCHEMBL1134677 0.81 LMNA (0.41) CA1CA2LTA4HLMNA
SCHEMBL1355987 0.81 LMNA (0.41) CA1CA2LTA4HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178849-A1 IRRITATION REDUCED SURFACTANT COMPOSITION L'OREAL (FR) 2022-09-01 WO disclosed
WO-2022178847-A1 COMPOSITION FOR CONDITIONING KERATIN MATERIAL L'OREAL (FR) 2022-09-01 WO disclosed
WO-2021134460-A1 COMPOSITION FOR CARING FOR KERATIN MATERIALS L'OREAL (FR) 2021-07-08 WO disclosed
WO-2021134469-A1 COMPOSITION FOR CARING FOR KERATIN MATERIALS L'OREAL (FR) 2021-07-08 WO disclosed