SCHEMBL19882267

SCHEMBL19882267

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(C)(C)C)cc3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.43
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
APP P05067 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL18517473 1.00 ELANE (0.43) ELANEKMT2AATMAPPCYP2C19
SCHEMBL20827834 0.99 ELANE (0.44) ELANEKMT2AATMAPPCYP2C19
SCHEMBL18699714 0.99 ELANE (0.44) ELANEKMT2AATMAPPCYP2C19
SCHEMBL19721773 0.95 ELANE (0.43) ELANEKMT2AATMAPPCYP2C19
SCHEMBL18517338 0.95 ELANE (0.43) ELANEKMT2AATMAPPCYP2C19
SCHEMBL18468434 0.91 ELANE (0.45) ELANEKMT2AATMCA2
SCHEMBL9607894 0.91 ELANE (0.47) ELANEKMT2AATMAPPCYP2C19
SCHEMBL9607902 0.90 ELANE (0.48) ELANEKMT2AATMAPPCYP2C19
SCHEMBL18493267 0.88 ELANE (0.41) ELANEAPPCYP2C19CA2
SCHEMBL18476167 0.87 ELANE (0.47) ELANEKMT2AATMCA2

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-3083408-B1 FILLING DEVICE AND USE THEREOF FOR FILLING A FLUID MERCK PATENT GMBH (DE) 2018-02-21 EP disclosed