SCHEMBL25155387

SCHEMBL25155387

Cc1ccc(OC[C@H]2CCN2C(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.43
▸ GPR119 Q8TDV5 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ GHSR Q92847 2/20 0.37

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
SCHEMBL30344023 1.00 ALOX5AP (0.43) ALOX5APGPR119NPSR1LMNAKDM4E
SCHEMBL30344385 1.00 ALOX5AP (0.43) ALOX5APGPR119NPSR1LMNAKDM4E
SCHEMBL31360281 1.00 ALOX5AP (0.43) ALOX5APGPR119NPSR1LMNAKDM4E
SCHEMBL25156353 1.00 ALOX5AP (0.43) ALOX5APGPR119NPSR1LMNAKDM4E
SCHEMBL31360077 0.94 ALOX5AP (0.49) ALOX5APGPR119NPSR1LMNAMEN1
SCHEMBL25155585 0.94 ALOX5AP (0.49) ALOX5APGPR119NPSR1LMNAMEN1
SCHEMBL25155629 0.94 ALOX5AP (0.49) ALOX5APGPR119NPSR1LMNAMEN1
SCHEMBL31360230 0.94 ALOX5AP (0.49) ALOX5APGPR119NPSR1LMNAMEN1
SCHEMBL31360002 0.94 ALOX5AP (0.49) ALOX5APGPR119NPSR1LMNAMEN1
SCHEMBL25156064 0.93 ALOX5AP (0.46) ALOX5APGPR119NPSR1LMNAFEN1

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 — — WO disclosed
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