SCHEMBL25902860

SCHEMBL25902860

C=C(C)C(=O)Oc1ccc2c(c1)oc1c(C)c(OC(=O)CC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.54
GAA P10253 7/20 0.54
KMT2A Q03164 7/20 0.54
HPGD P15428 7/20 0.54
GLA P06280 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 13/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 7/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
PAX8 Q06710 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25873722 0.92 KDM4E (0.47) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25907162 0.87 KDM4E (0.43) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25902955 0.85 KDM4E (0.41) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25875550 0.83 KMT2A (0.39) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25875003 0.80 KDM4E (0.41) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25873787 0.78 TUBB4A (0.42) KDM4EGAAKMT2AGLAALDH1A1
SCHEMBL15291998 0.78 ESR2 (0.52) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25874210 0.78 GBA1 (0.49) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25873724 0.78 KDM4E (0.39) KDM4EGAAKMT2AHPGDGLA
SCHEMBL25875667 0.76 KMT2A (0.42) KDM4EGAAKMT2AHPGDGLA

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-2023134595-A1 POLYMERIZABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed