SCHEMBL8628557

SCHEMBL8628557

CCC(CC)C(=O)C#CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 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
SCHEMBL25706 0.75 ALDH1A1 (0.44) TSHRALDH1A1
Ether SCHEMBL28615296 0.72 MGAM (0.36) TSHRLMNAALDH1A1
SCHEMBL1495883 0.72 TSHR (0.33) TSHRALDH1A1
SCHEMBL8626077 0.71
SCHEMBL2945943 0.70 GAA (0.46) TSHRLMNAALDH1A1
SCHEMBL1495932 0.70 CA1 (0.31) CA2CA1
SCHEMBL1088738 0.67
SCHEMBL2945975 0.67 HCAR2 (0.38) CA2CA1TSHRLMNAALDH1A1
SCHEMBL10532429 0.66
SCHEMBL11351014 0.66 ALDH1A1 (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646570-B1 PROCESS FOR PRODUCING LIGNAN COMPOUND SHIONOGI & CO (JP) 1998-06-24 EP disclosed
US-5488134-A Preparation of compounds of lignan series SHIONOGI & CO., LTD. (JP) 1996-01-30 US disclosed
CN-1109685-A Process for producing lignan compound SHIONOGI & CO (JP) 1995-10-04 CN disclosed
EP-0646570-A1 PROCESS FOR PRODUCING LIGNAN COMPOUND SHIONOGI & CO., LTD. (JP) 1995-04-05 EP disclosed