SCHEMBL28478472

SCHEMBL28478472

C=C(CC(=O)O)C(=O)NCC(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGLN1 Q9GZT9 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 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
SCHEMBL20337836 0.82 EPHX1 (0.39) MEN1KMT2AEGLN1ALOX15HSD17B10
SCHEMBL20337832 0.82 ALOX15 (0.32) ALOX15HSD17B10
SCHEMBL136474 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL28472466 0.77 TLR2 (0.32) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL7015641 0.77 EGLN1 (0.55) MEN1KMT2AEGLN1ALDH1A1KDM4E
SCHEMBL27705176 0.74 ALOX15 (0.34) MEN1KMT2AALOX15HSD17B10ALDH1A1
SCHEMBL6399291 0.73 CYP2D6 (0.54) MEN1KMT2AEGLN1ALDH1A1KDM4E
SCHEMBL923346 0.72 KMT2A (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12887950 0.72 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL19384149 0.72 KMT2A (0.39) MEN1KMT2AEGLN1ALDH1A1KDM4E

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-107735411-B Aqueous emulsion composition 株式会社可乐丽 2020-11-06 CN disclosed