SCHEMBL25876709

SCHEMBL25876709

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ESR1 P03372 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
SCHEMBL25876856 0.94 NR1H2 (0.33) NR1H2NR1H3ALDH1A1POLB
SCHEMBL25875840 0.93 KDM4E (0.32) NR1H2NR1H3KDM4EALDH1A1LMNA
SCHEMBL25876792 0.92 FFAR4 (0.33) NR1H2NR1H3ALDH1A1
SCHEMBL25876705 0.92 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL25876798 0.91 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL25876290 0.90 FFAR4 (0.33) NR1H2NR1H3ALDH1A1
SCHEMBL25875992 0.90 SMN1; SMN2 (0.34) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL25875670 0.88 GBA1 (0.36) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL25875456 0.88 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL25876477 0.88 NR1H3 (0.36) NR1H2NR1H3POLBPPARDPPARA

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