SCHEMBL19478477

SCHEMBL19478477

CC(Oc1cncc(C2OC(C)(C)C(C)(C)O2)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.40
▸ BRD4 O60885 4/20 0.37
▸ CREBBP Q92793 4/20 0.37
▸ IGLV6-57 P01721 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ ALKBH1 Q13686 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ NUDT1 P36639 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RORC P51449 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
SCHEMBL16052301 0.76 LPL (0.40) GCKBRD4CREBBPIGLV6-57FFAR1
SCHEMBL19478356 0.74 FFAR1 (0.39) GCKBRD4CREBBPIGLV6-57FFAR1
SCHEMBL15716509 0.74 LRRK2 (0.41) IGLV6-57FFAR1ALKBH1ADRA2AADRA2B
SCHEMBL15716702 0.70 FFAR1 (0.40) GCKIGLV6-57FFAR1ALKBH1ADRA2A
SCHEMBL28048770 0.68 CFTR (0.48) ADRA2AADRA2BADRA2C
SCHEMBL4363303 0.66 FFAR1 (0.56) IGLV6-57FFAR1KCNH2SCN3AADRA2A
SCHEMBL9946121 0.66 MEN1 (0.46) —
SCHEMBL6904351 0.66 FFAR1 (0.61) IGLV6-57FFAR1KCNH2SCN3AADRA2A
SCHEMBL1203044 0.65 FFAR1 (0.39) GCKIGLV6-57FFAR1ALKBH1ADRA2A
SCHEMBL1203174 0.65 FFAR1 (0.39) GCKIGLV6-57FFAR1ALKBH1ADRA2A

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-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 — — EP disclosed
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