SCHEMBL21841985

SCHEMBL21841985

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL19497305 1.00 POLB (0.34) POLBAPEX1HTTTDP1ELANE
SCHEMBL18473137 1.00 POLB (0.34) POLBAPEX1HTTTDP1ELANE
SCHEMBL19497251 0.93 POLB (0.35) POLBAPEX1HTTTDP1FFAR1
SCHEMBL15495194 0.91 POLB (0.40) POLBAPEX1HTTTDP1ELANE
SCHEMBL20428196 0.89 POLB (0.37) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19159130 0.88 POLB (0.32) POLBAPEX1HTTTDP1ELANE
SCHEMBL20342983 0.88 CTSA (0.33) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19156792 0.87 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL21663329 0.87 POLB (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL19157295 0.87 POLB (0.37) POLBAPEX1HTTTDP1ELANE

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-3215892-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-03-18 — — EP disclosed
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