SCHEMBL23903017

SCHEMBL23903017

C=CC(=O)C(C)(C)C(=O)/C=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NFE2L2 Q16236 1/20 0.58
ABCG2 Q9UNQ0 4/20 0.57
MEN1 O00255 2/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TNFRSF1A P19438 1/20 0.52
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL28794454 1.00 KMT2A (0.72) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10054233 0.93 KMT2A (0.82) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL29497174 0.93 KMT2A (0.82) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30130358 0.93 KMT2A (0.82) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30130359 0.93 KMT2A (0.82) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15000363 0.85 KMT2A (0.70) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL20117351 0.84 KMT2A (0.69) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3125894 0.84 KMT2A (1.00) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3125899 0.84 KMT2A (1.00) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL19717945 0.82 KMT2A (0.75) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD

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
EP-3582747-B1 A PERSONAL CARE COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2021-10-13 EP claimed