SCHEMBL8575312

SCHEMBL8575312

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 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
SCHEMBL8575315 1.00 CYP1A2 (0.33) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL3626322 0.88 CYP1A2 (0.38) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL26129393 0.88 CYP1A2 (0.38) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL26129394 0.88 CYP1A2 (0.38) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL8579779 0.81 AAK1 (0.37) SLC1A3SLC1A2
SCHEMBL8579775 0.81 AAK1 (0.37) SLC1A3SLC1A2
SCHEMBL20514701 0.79 MEN1 (0.37) CYP1A2MEN1KMT2AGAAHDAC1
SCHEMBL20514700 0.79 MEN1 (0.37) CYP1A2MEN1KMT2AGAAHDAC1
SCHEMBL8764441 0.79 KMT2A (0.39) MEN1KMT2AGAAHDAC1HDAC2
SCHEMBL30669496 0.79 ENPEP (0.37) CYP1A2GABRPGABRDGABRA1GABRB1

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-5840712-A TARGETS AND LINKERS RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed