SCHEMBL882485

SCHEMBL882485

CCC(OI)C(=O)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL15472453 0.80 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL14038948 0.80 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL806955 0.80 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL15472460 0.80 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL27934777 0.78 TSHR (0.37) TSHRLMNAALOX15HCAR2
SCHEMBL15998191 0.78 TSHR (0.42) TSHRLMNAALOX15
SCHEMBL5544727 0.78 TSHR (0.37) TSHRLMNAALOX15HCAR2
SCHEMBL15998219 0.77 ALDH1A1 (0.42) LMNAALOX15HCAR2
SCHEMBL882111 0.77
SCHEMBL12310621 0.77 TSHR (0.36) TSHRLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed