SCHEMBL25935937

SCHEMBL25935937

C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2F)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.41
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
CA2 P00918 2/20 0.33
PRKCZ Q05513 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22592232 1.00 ELANE (0.41) ELANEKDM4EKMT2AATMPTGS2
SCHEMBL21400899 0.92 KDM4E (0.42) ELANEKDM4EKMT2AATMPTGS2
SCHEMBL18468434 0.89 ELANE (0.45) ELANEKMT2AATMCA2
SCHEMBL22592299 0.88 ELANE (0.44) ELANEKMT2AATMCA2
SCHEMBL22101129 0.88 PRKCZ (0.43) KDM4EKMT2AATMPTGS2PTGS1
SCHEMBL27421754 0.87 KDM4E (0.38) ELANEKDM4EKMT2AATMPTGS2
SCHEMBL24001430 0.87 ELANE (0.43) ELANEKDM4EKMT2AATM
SCHEMBL24173089 0.87 ELANE (0.43) ELANEKDM4EKMT2AATM
SCHEMBL24001438 0.86 ELANE (0.39) ELANEKDM4E
SCHEMBL25999863 0.85 ELANE (0.39) ELANEKDM4E

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-2024132893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed