SCHEMBL25856162

SCHEMBL25856162

C=C(C)C(=O)Oc1ccc(-c2ccc3c(c2)sc2c(OC(F)(F)F)c(OC(=O)C(=C)C)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ESR1 P03372 3/20 0.35
ELANE P08246 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CTSA P10619 1/20 0.33
LIMK1 P53667 3/20 0.32
PPIB P23284 1/20 0.32
PPIA P62937 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.31
MCHR1 Q99705 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL25853306 0.92 DYRK1A (0.35) KMT2AATMESR1ELANEDYRK1A
SCHEMBL25855449 0.87 TUBB4A (0.39) KMT2AATMESR1ELANELIMK1
SCHEMBL25854668 0.86 ELANE (0.34) KMT2AATMESR1ELANEDYRK1A
SCHEMBL25856374 0.85 ELANE (0.36) KMT2AATMELANE
SCHEMBL25855862 0.85 KMT2A (0.36) KMT2AATMESR1ELANELIMK1
SCHEMBL25867987 0.85 ESR1 (0.34) KMT2AESR1ELANEDYRK1A
SCHEMBL25856161 0.84 ESR1 (0.39) ESR1PIM1PIM2CTSA
SCHEMBL25854769 0.84 KMT2A (0.38) KMT2AATMESR1ELANELIMK1
SCHEMBL25856221 0.84 ELANE (0.34) KMT2AATMELANE
SCHEMBL25854312 0.83 ELANE (0.33) KMT2AATMELANE

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-2023134598-A1 POLYMERISABLE 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-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