SCHEMBL20055992

SCHEMBL20055992

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TBXAS1 P24557 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL4834502 0.91 TSHR (0.38) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL20061712 0.88 L3MBTL1 (0.32) HCAR2L3MBTL1
SCHEMBL6025774 0.84 HCAR2 (0.39) HCAR2BLMAPEX1TBXAS1S1PR1
SCHEMBL4834195 0.83 HCAR2 (0.35) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL6450425 0.82 HCAR2 (0.41) HCAR2BLMAPEX1TBXAS1S1PR1
SCHEMBL4373237 0.76 TSHR (0.38) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL10763642 0.75 L3MBTL1 (0.33) L3MBTL1
SCHEMBL15525193 0.74 HCAR2 (0.41) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL20798602 0.74 HCAR2 (0.43) HCAR2TSHRBLMAPEX1TDP1
SCHEMBL6557837 0.73 TSHR (0.40) HCAR2L3MBTL1TSHRTP53EGLN1

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-3309198-A1 BIO-BASED POLYMER COMPOSITIONS Klaus Dahleke KG (DE) 2018-04-18 EP disclosed