SCHEMBL25859788

SCHEMBL25859788

C=C(C)C(=O)Oc1ccc2c(sc3c(OC)c(OC(=O)CC)ccc32)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 2/20 0.35
MAPT P10636 3/20 0.34
FGFR1 P11362 1/20 0.34
VCP P55072 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
TUBB4A P04350 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
SCHEMBL25853924 0.91 KMT2A (0.31) KMT2AGAAHPGDHSD17B10KDM4E
SCHEMBL25853784 0.91 ELANE (0.36) KMT2AKDM4EALOX15MAPTMEN1
SCHEMBL25867926 0.88 TUBB4A (0.37) KMT2AGAAHPGDHSD17B10KDM4E
SCHEMBL25853665 0.84 KMT2A (0.33) KMT2AKDM4EALOX15MAPTMEN1
SCHEMBL25853455 0.83 ELANE (0.31) KMT2AALOX15MAPTMEN1USP2
SCHEMBL25859851 0.81 ELANE (0.30) ELANE
SCHEMBL25853849 0.80 AKR1B10 (0.30)
SCHEMBL25871110 0.80 KMT2A (0.34) KMT2AGAAHPGDHSD17B10KDM4E
SCHEMBL25853847 0.79 POLB (0.36) KMT2AALOX15MAPTMEN1USP2
SCHEMBL25853233 0.78 TUBB4A (0.41) KMT2AGAAKDM4ELMNAMAPK1

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
WO-2023134596-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed