SCHEMBL21279880

SCHEMBL21279880

CC(C)(C)OC(=O)N1CCCCC1c1cc2[nH]c(C3CC3)cc(=O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ PDE8B O95263 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ PLAT P00750 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ SPR P35270 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
SCHEMBL2737941 1.00 MAPT (0.40) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL9986315 0.88 ALDH1A1 (0.37) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL223010 0.88 ALDH1A1 (0.37) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL22164216 0.86 PARP1 (0.35) KDM4EALDH1A1HTTNPSR1PLAT
SCHEMBL2737949 0.85 ALDH1A1 (0.39) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL17823266 0.85 ALDH1A1 (0.39) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL2738092 0.84 ALDH1A1 (0.38) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL220358 0.83 ALDH1A1 (0.37) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL9986923 0.83 ALDH1A1 (0.37) MAPTKDM4ETHRBALDH1A1HTT
SCHEMBL21279703 0.81 ALDH1A1 (0.36) MAPTKDM4ETHRBALDH1A1HTT

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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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