SCHEMBL25875992

SCHEMBL25875992

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4c(OC)c(OC(=O)C(=C)C)ccc43)c2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 4/20 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
SCHEMBL25876147 0.94 MAOA (0.35) SMN1; SMN2MAOAMAOBKDM4EALDH1A1
SCHEMBL25875780 0.93 KMT2A (0.36) SMN1; SMN2MAOAMAOBKDM4EALDH1A1
SCHEMBL25875670 0.92 GBA1 (0.36) SMN1; SMN2MAOAMAOBKDM4EALDH1A1
SCHEMBL25875986 0.90 MAOA (0.35) SMN1; SMN2MAOAMAOBPOLBCYP1A2
SCHEMBL25876709 0.90 NR1H2 (0.32) SMN1; SMN2KDM4EALDH1A1HSD17B10POLB
SCHEMBL25875375 0.88 MPL (0.32) SMN1; SMN2MAOAMAOBKDM4EALDH1A1
SCHEMBL25876286 0.88 NR1H2 (0.33) MAOAMAOB
SCHEMBL25876290 0.88 FFAR4 (0.33) MAOAMAOBALDH1A1
SCHEMBL25875379 0.86 MAOA (0.33) MAOAMAOBPOLBHTTTNKS2
SCHEMBL25874470 0.85 MAOA (0.37) SMN1; SMN2MAOAMAOBKDM4EALDH1A1

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-2023134594-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