SCHEMBL25296465

SCHEMBL25296465

C=C(CCCCCCN(CC)CC)OC(=C)CCCCCCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.41
ALDH1A1 P00352 1/20 0.35
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOB P27338 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
PMP22 Q01453 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
SCHEMBL4807000 0.98 PAOX (0.38) PAOXALDH1A1KDM5AKDM4CBCHE
SCHEMBL2475320 0.91 APOBEC3A (0.39) PAOXALDH1A1APOBEC3AAPOBEC3GSIGMAR1
SCHEMBL584180 0.82 MEN1 (0.35) APOBEC3AAPOBEC3GSIGMAR1MEN1KMT2A
SCHEMBL4815602 0.78 ALDH1A1 (0.50) PAOXALDH1A1KDM5AKDM4CPHF8
SCHEMBL23656237 0.78 PAOX (0.39) PAOXALDH1A1KDM5AKDM4CBCHE
SCHEMBL1615108 0.76 ALDH1A1 (0.46) PAOXALDH1A1KDM5AKDM4CPHF8
SCHEMBL11615527 0.75 PAOX (0.49) PAOXALDH1A1KDM5AKDM4CBCHE
SCHEMBL1100156 0.75 CES2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8991633 0.75 CES2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL1851990 0.75 CES2 (0.46) ALDH1A1MEN1KMT2A

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
EP-3401369-B1 PROCESS FOR MAKING AN ANTI-REFLECTIVE COATING COMPOSITION AND A POROUS COATING MADE THEREFROM COVESTRO NETHERLANDS BV (NL) 2023-07-19 EP claimed