SCHEMBL19159458

SCHEMBL19159458

C=C(C)C(=O)OCC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)c(OC(=O)COC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ CA2 P00918 1/20 0.34
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAPDH P04406 1/20 0.31

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
SCHEMBL16559839 0.95 ELANE (0.40) BACE1ELANEKMT2AATMGAA
SCHEMBL18308842 0.91 BACE1 (0.39) BACE1ELANEKMT2AATMGAA
SCHEMBL16559833 0.86 TDP1 (0.40) BACE1ELANEKMT2AATMGAA
SCHEMBL16559832 0.86 TDP1 (0.38) BACE1ELANEKMT2AATMGAA
SCHEMBL19158258 0.86 KMT2A (0.37) BACE1ELANEKMT2AATMPDGFRB
SCHEMBL17794408 0.85 BACE1 (0.39) BACE1ELANEKMT2AATMGAA
SCHEMBL16573121 0.84 ELANE (0.39) BACE1ELANEKMT2AATMTDP1
SCHEMBL19158864 0.84 ELANE (0.40) ELANEKMT2AATMPDGFRBPDGFRA
SCHEMBL22459581 0.83 BACE1 (0.43) BACE1ELANEKMT2AATMMAPT
SCHEMBL21101841 0.83 ELANE (0.50) BACE1ELANEKMT2AATMGAA

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-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
Send feedback