SCHEMBL23398376

SCHEMBL23398376

CCCCn1[nH]c(CC)c(-c2ccc(C)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34

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
SCHEMBL23401473 0.91 ADORA2A (0.39) KMT2AKDM4ELMNATP53ADORA2A
SCHEMBL23399364 0.87 MEN1 (0.54) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL23400800 0.85 KMT2A (0.41) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL23403403 0.84 KMT2A (0.40) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL23400227 0.81 KMT2A (0.38) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL23402465 0.80 KDM4E (0.39) KMT2AMEN1KDM4EADORA2AADORA2B
SCHEMBL23400628 0.80 KDM4E (0.43) KMT2AMEN1KDM4ETP53ADORA2A
SCHEMBL23401732 0.80 ALDH1A1 (0.39) KMT2AMEN1RGS4RGS8KDM4E
SCHEMBL23401860 0.80 KMT2A (0.49) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL23400446 0.78 KDM4E (0.49) KMT2AMEN1KDM4EADORA2AADORA2B

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed