SCHEMBL11083028

SCHEMBL11083028

CC(C)(C)OCCCCOC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL28598116 0.89 ALDH1A1 (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL855245 0.87 MEN1 (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8361313 0.87 MEN1 (0.50) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL11024894 0.82 MEN1 (0.54) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL26696110 0.81 MEN1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL898883 0.81 MEN1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL16376197 0.81 MEN1 (0.56) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL10109969 0.80 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL815193 0.80 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL17694672 0.80 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124066-A1 Acidic mixed oxide catalytic dealkylation to produce 1,4-butanediol and tetrahydrofuran GENERAL ELECTRIC COMPANY (US) 1984-11-07 EP disclosed
US-4474973-A Acidic mixed oxide catalytic dealkylation to produce 1,4-butanediol and tetrahydrofuran GENERAL ELECTRIC COMPANY (US) 1984-10-02 US disclosed