SCHEMBL8566431

SCHEMBL8566431

CC(C)COc1ccn[c]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL559215 0.81
SCHEMBL1526656 0.79
SCHEMBL6965549 0.75
SCHEMBL558267 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10652370 0.73 CYP3A4 (0.38) TLR8TSHRLMNANPC1CYP2C9
SCHEMBL8569786 0.73 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4630552 0.72
SCHEMBL8565478 0.71
SCHEMBL8565475 0.71
SCHEMBL8570312 0.71 ADAM17 (0.32)

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
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed