SCHEMBL22001328

SCHEMBL22001328

C=C(C)C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.49
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
GFER P55789 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
SCHEMBL18511520 0.91 ELANE (0.58) ELANEKMT2AATM
SCHEMBL18808230 0.91 ELANE (0.58) ELANEKMT2AATM
SCHEMBL19623202 0.90 ELANE (0.50) ELANEKMT2AATM
SCHEMBL2123965 0.90 ELANE (0.57) ELANELMNAGAAMAPTTDP1
SCHEMBL29333589 0.87 ELANE (0.50) ELANEKMT2AATM
SCHEMBL21920732 0.87 ELANE (0.50) ELANEKMT2AATM
SCHEMBL20429676 0.85 ELANE (0.45) ELANEKMT2AATM
SCHEMBL23919388 0.85 ELANE (0.44) ELANELMNAKMT2AATM
SCHEMBL25582670 0.85 ELANE (0.44) ELANELMNAKMT2AATM
SCHEMBL24377891 0.84 ELANE (0.44) ELANELMNAGAAKMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023198673-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
US-20230159825-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-25 US disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
US-10642104-B2 Method of controlling the pretilt angle in polymer stabilised liquid crystal displays MERCK PATENT GMBH (DE) 2020-05-05 US disclosed