SCHEMBL21964558

SCHEMBL21964558

CNC(CCCCNC(=O)CC(NC)C(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FOLH1 Q04609 1/20 0.38
ALB P02768 3/20 0.37
SIRT5 Q9NXA8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.36
CASP2 P42575 1/20 0.34
TSHR P16473 1/20 0.33
FAAH O00519 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
SCHEMBL8477259 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL24641589 0.95 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL25963149 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL22971574 0.89 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL23862511 0.89 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL20609544 0.89 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL23152928 0.89 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL24641588 0.89 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL20393501 0.88 MEN1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1
SCHEMBL18412629 0.88 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1FOLH1

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
WO-2022204308-A1 MULTISOME LIPID VESICLES FOR DELIVERY OF COSMETIC AGENTS GLO PHARMA, INC. (US) 2022-09-29 WO disclosed
WO-2020081583-A1 NICOTINIC ACETYLCHOLINE RECEPTOR PEPTIDE ANTAGONIST CONOTOXIN COMPOSITIONS AND RELATED METHODS Glo Pharma, LLC (US) 2020-04-23 WO disclosed