SCHEMBL19683314

SCHEMBL19683314

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 12/20 0.38
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ S1PR1 P21453 1/20 0.34
▸ FFAR1 O14842 3/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ BACE1 P56817 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
SCHEMBL21559762 0.94 POLB (0.35) ELANEPOLBAPEX1HTTTDP1
SCHEMBL15495194 0.90 POLB (0.40) ELANEPOLBAPEX1HTTTDP1
SCHEMBL21663329 0.86 POLB (0.37) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19157295 0.86 POLB (0.37) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19497312 0.86 BACE1 (0.45) POLBAPEX1HTTTDP1FFAR1
SCHEMBL21693389 0.85 POLB (0.40) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19914777 0.85 POLB (0.37) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19624400 0.85 ELANE (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL22537030 0.84 HTT (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19156792 0.84 POLB (0.36) ELANEPOLBAPEX1HTTTDP1

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
US-20170351130-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-07 — — US disclosed
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