SCHEMBL8984331

SCHEMBL8984331

CC(C)(C)C(NC(=O)OCc1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
ADAMTS4 O75173 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYSLTR1 Q9Y271 6/20 0.44
CYSLTR2 Q9NS75 4/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRNP P04156 1/20 0.43
MAPK10 P53779 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ADAM17 P78536 1/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL8984329 1.00 ALOX5AP (0.46) ALOX5APGPBAR1ADAMTS4CYP1A2CYSLTR1
SCHEMBL7298298 0.84 ADAMTS4 (0.55) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7307096 0.84 ADAMTS4 (0.55) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7295767 0.82 GPBAR1 (0.46) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7306877 0.80 CYP1A2 (0.48) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7306884 0.80 CYP1A2 (0.48) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7304085 0.79 CTSL (0.48) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL7299398 0.79 CTSL (0.48) GPBAR1ADAMTS4CYP1A2CYSLTR1CYSLTR2
SCHEMBL738204 0.78 SYK (0.54)
SCHEMBL478316 0.78 SYK (0.54)

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-5578608-A HIV PROTEASE INHIBITOR ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed