SCHEMBL25859427

SCHEMBL25859427

C=C(C)C(=O)Oc1ccc2c(sc3c(C)c(OC(=O)CC)ccc32)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.32
PAX8 Q06710 1/20 0.32
USP2 O75604 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
SCHEMBL25853372 0.92 ELANE (0.33) KMT2A
SCHEMBL25853524 0.85 GAA (0.32) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25859675 0.85 KMT2A (0.38) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25853367 0.85 ELANE (0.36) KMT2AALDH1A1
SCHEMBL25853594 0.83 ELANE (0.37) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25867866 0.81 KMT2A (0.41) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25871110 0.79 KMT2A (0.34) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25855045 0.78 ELANE (0.38) KMT2AGAAHTT
SCHEMBL25859788 0.78 KMT2A (0.36) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25853455 0.77 ELANE (0.31) KMT2AALOX15MAPTUSP2

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