SCHEMBL11075774

SCHEMBL11075774

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CYP1A2 P05177 2/20 0.46
ECE1 P42892 2/20 0.40
TET2 Q6N021 3/20 0.38
KDM4A O75164 2/20 0.38

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
SCHEMBL14672524 0.83 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16350129 0.80 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL763872 0.80 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1437835 0.79 CYP1A2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7312929 0.79 CYP1A2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2169058 0.77 CYP1A2 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10511832 0.77 HDAC1 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL11584000 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23870285 0.76 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15222222 0.76 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed