SCHEMBL29333589

SCHEMBL29333589

C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(C)(C)C)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.50
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 2/20 0.38

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
SCHEMBL21920732 1.00 ELANE (0.50) ELANEKMT2AATMCA2
SCHEMBL19623202 0.97 ELANE (0.50) ELANEKMT2AATMCA2
SCHEMBL18511520 0.93 ELANE (0.58) ELANEKMT2AATMCA2
SCHEMBL18808230 0.93 ELANE (0.58) ELANEKMT2AATMCA2
SCHEMBL24440807 0.89 ELANE (0.54) ELANEKMT2AATM
SCHEMBL378849 0.89 ELANE (0.54) ELANEKMT2AATM
SCHEMBL22001328 0.87 ELANE (0.49) ELANEKMT2AATM
SCHEMBL17081087 0.86 ELANE (0.54) ELANEKMT2AATM
SCHEMBL15339043 0.86 ELANE (0.49) ELANEKMT2AATM
SCHEMBL15339076 0.86 ELANE (0.49) ELANEKMT2AATM

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-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed