SCHEMBL8220299

SCHEMBL8220299

CC(CC=O)CC(C)(C)C.O=CCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 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
SCHEMBL30879507 0.81
SCHEMBL272791 0.81
SCHEMBL26107403 0.81
SCHEMBL26107696 0.81 PPARG (0.43) LMNAFFAR1ALDH1A1MAPTCYP19A1
SCHEMBL9316663 0.79
Alcohol SCHEMBL6241581 0.77
SCHEMBL9808877 0.76 FNTA (0.38) LMNASLC15A2
SCHEMBL9808873 0.76 FNTA (0.38) LMNASLC15A2
SCHEMBL8962226 0.75
SCHEMBL26108492 0.75 PPARG (0.46) LMNAALDH1A1MAPTCYP19A1RXRA

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-1019720-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998027427-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed