SCHEMBL807510

SCHEMBL807510

CCC(C)(NC)C(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRB3 P13945 1/20 0.30
HPGD P15428 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL22874327 0.84 TSHR (0.34) TSHRLMNAMEN1KMT2APOLB
SCHEMBL22874323 0.84 TSHR (0.34) TSHRLMNAMEN1KMT2APOLB
SCHEMBL28318058 0.79 TSHR (0.31) TSHRLMNAMEN1KMT2AMMP8
SCHEMBL806956 0.79 DGAT1 (0.38) TSHRPOLBMAPTHPGDMAPK1
SCHEMBL4069477 0.79 DGAT1 (0.38) TSHRPOLBMAPTHPGDMAPK1
SCHEMBL806944 0.77 MMP8 (0.38) TSHRMMP8MAPTMAPK1SMN1; SMN2
SCHEMBL15998215 0.75 MAPT (0.30) MAPT
SCHEMBL13944018 0.75 MEN1 (0.38) TSHRLMNAMEN1KMT2AMMP8
SCHEMBL10171878 0.75 MAPT (0.46) TSHRLMNAMEN1KMT2AMMP8
SCHEMBL17617170 0.74 TSHR (0.40) TSHRLMNAMEN1KMT2AMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
EP-2268642-B1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
WO-2012142523-A2 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 WO disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed