SCHEMBL11813613

SCHEMBL11813613

C(#CCOC1CCCCO1)CC#CCOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GCK P35557 1/20 0.30

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
SCHEMBL10576592 0.94 MEN1 (0.38) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL10810688 0.92 MEN1 (0.35) MEN1KMT2AKDM4CGRM5
SCHEMBL10811272 0.92 MEN1 (0.32) MEN1KMT2AKDM4CGRM5NPC1
SCHEMBL9198487 0.92 MEN1 (0.32) MEN1KMT2AKDM4CGRM5
SCHEMBL11812965 0.90 KDM4C (0.33) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL10578693 0.90 CHRM2 (0.34) MEN1KMT2AKDM4CGRM5
SCHEMBL9195068 0.89 MEN1 (0.33) MEN1KMT2AKDM4CGRM5
SCHEMBL2989785 0.89 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL10810042 0.86 CHRM2 (0.34) MEN1KMT2A
SCHEMBL5369982 0.85 MEN1 (0.34) MEN1KMT2AKDM4CGRM5L3MBTL1

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
US-3940425-A Process for the production of polyunsaturated compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US claimed
US-3940425-A Process for the production of polyunsaturated compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed