SCHEMBL22101080

SCHEMBL22101080

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.56
CA2 P00918 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL18468434 0.88 ELANE (0.45) ELANECA2KMT2A
SCHEMBL19335493 0.84 ELANE (0.55) ELANECA2MEN1KMT2A
SCHEMBL22101051 0.84 ELANE (0.50) ELANECA2
SCHEMBL6036414 0.83 ELANE (0.53) ELANECA2MEN1KMT2A
SCHEMBL19881848 0.82 ELANE (0.42) ELANECA2
SCHEMBL17355717 0.81 ELANE (0.55) ELANECA2MEN1KMT2A
SCHEMBL22592299 0.81 ELANE (0.44) ELANECA2KMT2A
SCHEMBL20827834 0.81 ELANE (0.44) ELANECA2KMT2A
SCHEMBL18699714 0.81 ELANE (0.44) ELANECA2KMT2A
SCHEMBL19882267 0.80 ELANE (0.43) ELANECA2KMT2A

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
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed