SCHEMBL27972724

SCHEMBL27972724

CCC(/C=C/C(=O)O)(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
HCAR2 Q8TDS4 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL6449921 1.00 TSHR (0.40) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL6446035 0.83 HCAR2 (0.40) HCAR2
SCHEMBL20061712 0.81 L3MBTL1 (0.32) HCAR2L3MBTL1
SCHEMBL6448590 0.81 HCAR2 (0.42) HCAR2
SCHEMBL6557837 0.79 TSHR (0.40) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL2597440 0.77 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL4373237 0.77 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL9703841 0.77 ALDH1A1 (0.35) TSHR
SCHEMBL4834502 0.77 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL15525193 0.75 HCAR2 (0.41) TSHRTP53EGLN1EGLN3HCAR2

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
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN disclosed