SCHEMBL25874692

SCHEMBL25874692

C=C(C)C(=O)Oc1ccc2c(oc3c(C(F)(F)F)c(OC(=O)C(=C)C)ccc32)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 4/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GBA1 P04062 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 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
SCHEMBL25874323 0.93 GBA1 (0.41) CYP2C9ALDH1A1HSD17B10HPGDKMT2A
SCHEMBL25874024 0.93 SLC26A3 (0.34) ELANECYP2C9MAOAMAOB
SCHEMBL25874477 0.91 MAOA (0.40) CYP2C9ALDH1A1HSD17B10HPGDKMT2A
SCHEMBL25874705 0.90 ALDH1A1 (0.32) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL25876563 0.87 ELANE (0.37) ELANECYP2C9KMT2AATM
SCHEMBL25873793 0.86 CYP2C9 (0.42) ELANECYP2C9ALDH1A1HSD17B10KMT2A
SCHEMBL25874697 0.85 POLB (0.35) POLBTSHRTDP1HTT
SCHEMBL25876384 0.84 ELANE (0.35) ELANECYP2C9KMT2AATM
SCHEMBL25876472 0.84 KMT2A (0.36) ELANECYP2C9ALDH1A1HSD17B10HPGD
SCHEMBL25853994 0.79 ELANE (0.34) ELANECYP2C9ALDH1A1HSD17B10HPGD

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 2 patents. 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
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