SCHEMBL7939089

SCHEMBL7939089

CC(C)(C)OC(=O)COCCCCCCCCCCCCOC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 2/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.30
EPHX1 P07099 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
SCHEMBL5211517 0.99 KMT2A (0.48) MEN1KMT2ATLR2TLR1KDM4C
SCHEMBL24675724 0.86 MEN1 (0.48) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL10007365 0.86 MEN1 (0.49) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22071027 0.85 KMT2A (0.49) MEN1KMT2AKDM4CCES2POLB
SCHEMBL21068614 0.83 KMT2A (0.47) MEN1KMT2AKDM4CCES2
SCHEMBL8014306 0.82 MEN1 (0.58) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5218740 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL5218731 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL18294545 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL23930447 0.80 MEN1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245317-B1 F18-labeled oxa fatty acids and methods of making and using the same DUKE UNIVERSITY 2001-06-12 US disclosed