SCHEMBL7535286

SCHEMBL7535286

CCCCCCCCCCCCc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
KCNH2 Q12809 1/20 0.46
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
PPARA Q07869 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYSLTR2 Q9NS75 6/20 0.41
CYSLTR1 Q9Y271 6/20 0.41
OXER1 Q8TDS5 1/20 0.40

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
SCHEMBL31208281 1.00 LIPG (0.50) LIPGKCNH2BIDMCL1PPARA
SCHEMBL10953124 1.00 LIPG (0.50) LIPGKCNH2BIDMCL1PPARA
SCHEMBL31357182 1.00 LIPG (0.50) LIPGKCNH2BIDMCL1PPARA
SCHEMBL35210175 1.00 LIPG (0.50) LIPGKCNH2BIDMCL1PPARA
Hydrochloric Acid SCHEMBL31167568 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA
Bromide SCHEMBL32679743 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA
Bromide SCHEMBL31182429 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA
Bromide SCHEMBL31362235 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA
Iodide SCHEMBL31456471 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA
Hydrochloric Acid SCHEMBL31167543 0.98 LIPG (0.49) LIPGKCNH2BIDMCL1PPARA

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
EP-0937094-B1 METHOD FOR THE PRODUCTION OF IVERMECTIN BAYER AG (DE) 2002-04-03 EP disclosed
US-6072052-A REACTING MIXTURES OF AVERMECTIN B1A AND B1B WITH HYDROGENATION CATALYST IN A REACTION SOLVENT TO PRODUCE IVERMECTIN, REMOVING REACTION SOLVENT, THEN REMOVING CATALYST USING LIPOPHILIC SOLVENT EXTRACTION BAYER AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0937094-A1 METHOD FOR THE PRODUCTION OF IVERMECTIN BAYER AG (DE) 1999-08-25 EP disclosed
WO-1998018806-A1 METHOD FOR THE PRODUCTION OF IVERMECTIN BAYER AKTIENGESELLSCHAFT (DE) 1998-05-07 WO disclosed