SCHEMBL10555802

SCHEMBL10555802

O=C(O)C1CC(=O)C(OC2CC2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MAPT P10636 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
PMP22 Q01453 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL10596015 0.78
SCHEMBL10557148 0.77 ALDH1A1 (0.43) GAAMAPT
SCHEMBL2675608 0.71 LMNA (0.46) GAAAKR1C3AKR1C1GABRPGABRD
SCHEMBL17802859 0.71 LMNA (0.46) GAAAKR1C3AKR1C1GABRPGABRD
SCHEMBL9842207 0.68 MEN1 (0.38) POLBGAAAKR1C3AKR1C1MAPT
SCHEMBL22588020 0.67 TSHR (0.37) AKR1C3AKR1C1GABRPGABRDGABRA1
SCHEMBL9483336 0.67 AKR1C3 (0.37) POLBGAAAKR1C3AKR1C1MAPT
SCHEMBL32678109 0.66 ACE (0.41) AKR1C3AKR1C1GABRPGABRDGABRA1
SCHEMBL17802982 0.66 LMNA (0.41) AKR1C3AKR1C1GABRPGABRDGABRA1
SCHEMBL9245747 0.66 MAPT (0.35) POLBGAAAKR1C3AKR1C1MAPT

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
US-4803268-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed