SCHEMBL21483025

SCHEMBL21483025

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
GAPDH P04406 1/20 0.37
APP P05067 2/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
AKR1C3 P42330 5/20 0.34
AKR1C2 P52895 5/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34
FEN1 P39748 2/20 0.34
BACE1 P56817 1/20 0.34
ABCB1 P08183 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL21101679 0.96 ELANE (0.43) ELANEKMT2AATMGAPDHAPP
SCHEMBL15338898 0.95 GAPDH (0.40) KMT2AGAPDHAPPCYP2C19ERN1
SCHEMBL15338821 0.93 GAPDH (0.41) KMT2AGAPDHAPPCYP2C19ERN1
SCHEMBL24440893 0.92 APP (0.39) ELANEKMT2AATMGAPDHAPP
SCHEMBL17625821 0.92 ELANE (0.42) ELANEKMT2AATMAPPCYP2C19
SCHEMBL15338894 0.92 APP (0.39) KMT2AGAPDHAPPCYP2C19ERN1
SCHEMBL15339164 0.91 ELANE (0.38) ELANEKMT2AATMGAPDHAPP
SCHEMBL15339122 0.91 AKR1C3 (0.38) ELANEKMT2AATMGAPDHAPP
SCHEMBL15339125 0.91 AKR1C3 (0.41) ELANEKMT2AATMGAPDHAPP
SCHEMBL9607895 0.91 ELANE (0.47) ELANEKMT2AATMAPPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 US disclosed
EP-4194529-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-06-14 EP disclosed
WO-2023066953-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 WO disclosed
WO-2022101151-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2022-05-19 WO disclosed
US-11078421-B2 Liquid crystal composition and display using composition SHIJIAZHUANG CHENGZHI YOUNGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-08-03 US disclosed
US-20190316038-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY USING COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-10-17 US disclosed