SCHEMBL8980491

SCHEMBL8980491

O=C1CC(=O)OC(COCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
PTPN1 P18031 2/20 0.51
CDC25B P30305 1/20 0.51
AKT1 P31749 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
BUB1 O43683 1/20 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
SCHEMBL3142790 0.86 LMNA (0.63) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL25307508 0.82 LMNA (0.55) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL25307505 0.82 LMNA (0.55) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL4794721 0.79 LMNA (0.58) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL5237882 0.79 LMNA (0.58) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL1335990 0.79 LMNA (0.58) LMNAPTPN1CDC25BAKT1L3MBTL1
SCHEMBL9267781 0.78 LMNA (0.55) LMNAPTPN1CDC25BAKT1
SCHEMBL6282511 0.78 LMNA (0.55) LMNAPTPN1CDC25BAKT1
SCHEMBL7080429 0.77 CYP3A4 (0.54)
SCHEMBL5671815 0.77 CYP3A4 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504056-A Heterocyclic cyclohexanedione derivative, production thereof, and herbicide NIPPON SODA CO., LTD. (JP) 1996-04-02 US disclosed
EP-0641780-A1 HETEROCYCLIC CYCLOHEXANEDIONE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1995-03-08 EP disclosed