SCHEMBL9856813

SCHEMBL9856813

CCOP(=O)(OCC)C(N)CCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ENPEP Q07075 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 2/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41

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
SCHEMBL6375729 0.95 GABRP (0.42) ALDH1A1ENPEPFFAR4FFAR1GABRP
SCHEMBL28860025 0.92 ALDH1A1 (0.45) ALDH1A1ENPEPFFAR4FFAR1GABRP
SCHEMBL6375432 0.88 GABRP (0.50) ALDH1A1ENPEPGABRPGABRDGABRA1
SCHEMBL28215667 0.87 ALDH1A1 (0.39) ALDH1A1ENPEPFFAR4FFAR1GABRP
SCHEMBL1846885 0.83 FFAR4 (0.44) ALDH1A1FFAR4FFAR1AKR1B1PPARG
SCHEMBL10384012 0.80 LAP3 (0.57) LAP3
SCHEMBL28215668 0.80 GABRP (0.46) ALDH1A1ENPEPGABRPGABRDGABRA1
SCHEMBL19955270 0.79 LAP3 (0.58) LAP3
SCHEMBL22223355 0.79 FFAR4 (0.45) ALDH1A1FFAR4FFAR1PPARGPPARD
SCHEMBL3122516 0.78 LAP3 (0.48) LAP3TSHR

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-0253179-B1 A-ACYLAMINO AMINOALKYL PHOPHONATE ANGIOTENSIN CONVERTING ENZYME INHIBITORS E.R. Squibb & Sons, Inc. (US) 1991-12-04 EP disclosed
EP-0253179-A2 A-acylamino aminoalkyl phophonate angiotensin converting enzyme inhibitors E.R. Squibb & Sons, Inc. (US) 1988-01-20 EP disclosed