SCHEMBL31339985

SCHEMBL31339985

N#CCC(=O)NCCOCCOCCOCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.52
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
BCL2 P10415 1/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL31616818 1.00 MCL1 (0.52) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL18221537 1.00 MCL1 (0.52) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL12371394 0.98 MCL1 (0.53) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL24176822 0.86 MCL1 (0.52) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL14584273 0.84 MCL1 (0.55) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL17099843 0.84 MCL1 (0.55) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL17099806 0.81 MCL1 (0.47) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL21852746 0.80 MCL1 (0.46) MCL1KMT2AMEN1LMNAMAPT
SCHEMBL20822014 0.79 MEN1 (0.48) KMT2AMEN1LMNAMAPTHTT
SCHEMBL1898653 0.78

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
CN-119365797-A Ophthalmic devices comprising light stable mimics of macular pigments and other visible light filters 强生视力健公司 2025-01-24 CN disclosed