SCHEMBL19157295

SCHEMBL19157295

C=C(C)C(=O)OCCOc1cc(F)c(-c2ccc(OC(=O)C(=C)C)cc2)cc1OCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ FFAR1 O14842 3/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 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
SCHEMBL21663329 1.00 POLB (0.37) POLBAPEX1HTTTDP1BACE1
SCHEMBL15495194 0.96 POLB (0.40) POLBAPEX1HTTTDP1BACE1
SCHEMBL20343011 0.93 BACE1 (0.42) POLBAPEX1HTTTDP1BACE1
SCHEMBL21004634 0.90 RARG (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL19158936 0.90 RARG (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL19156792 0.90 POLB (0.36) POLBAPEX1HTTTDP1BACE1
SCHEMBL22537030 0.90 HTT (0.38) POLBAPEX1HTTTDP1BACE1
SCHEMBL19497312 0.89 BACE1 (0.45) POLBAPEX1HTTTDP1BACE1
SCHEMBL21559762 0.89 POLB (0.35) POLBAPEX1HTTTDP1BACE1
SCHEMBL22537031 0.89 POLB (0.35) POLBAPEX1HTTTDP1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881383-B1 Mixing device and its use MERCK PATENT GMBH (DE) 2020-06-24 — — EP disclosed
EP-3428246-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-04-15 — — EP disclosed
EP-3234689-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-01-29 — — EP disclosed
EP-3083408-B1 FILLING DEVICE AND USE THEREOF FOR FILLING A FLUID MERCK PATENT GMBH (DE) 2018-02-21 — — EP disclosed
EP-2837671-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2017-10-25 — — EP disclosed
EP-2993216-B1 COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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