SCHEMBL9680069

SCHEMBL9680069

O=C(COC1CCCCO1)COC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CREBBP Q92793 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EP300 Q09472 1/20 0.31
HPGD P15428 2/20 0.30
HTT P42858 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL26645794 0.94 KMT2A (0.40) MEN1KMT2AKDM4CLMNAPOLB
SCHEMBL26817985 0.89 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL10430874 0.89 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL9655459 0.89 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL3030136 0.86 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1LMNA
SCHEMBL11864616 0.86 MEN1 (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3816272 0.85 KMT2A (0.43) MEN1KMT2AKDM4CL3MBTL1LMNA
SCHEMBL1338950 0.85 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1LMNA
SCHEMBL17424226 0.83 ALDH1A1 (0.42) MEN1KMT2ACREBBPALDH1A1
SCHEMBL9490603 0.83 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
US-5102895-A Antilipemic agent having a number of nicotinic acid molecule bonded to vitamin; synergistic, side effect reduction EISAI CO., LTD. (JP) 1992-04-07 US disclosed
EP-0436911-A2 Novel vitamin E derivatives and process for the production thereof Eisai Co., Ltd. (JP) 1991-07-17 EP disclosed
US-4077982-A HERBICIDES FMC CORPORATION (US) 1978-03-07 US disclosed