SCHEMBL7528402

SCHEMBL7528402

CCCCCCc1ccccc1P(c1ccccc1CCCCCC)c1ccccc1CCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
KCNH2 Q12809 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
TLR8 Q9NR97 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALOX5 P09917 2/20 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
SCHEMBL29826392 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL127208 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL28652631 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL6288815 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL29397871 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL7530600 1.00 LIPG (0.56) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL6072432 0.93 LIPG (0.50) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL6072429 0.93 LIPG (0.54) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL6288562 0.92 LIPG (0.46) LIPGKCNH2NR1H2NR1H3BID
SCHEMBL29409674 0.92 LIPG (0.46) LIPGKCNH2NR1H2NR1H3BID

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 12 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
US-4472319-A Preparation of unsaturated nitriles using a surfactant PHILLIPS PETROLEUM COMPANY (US) 1984-09-18 US disclosed
US-4255352-A TANK REACTORS IN SERIES PHILLIPS PETROLEUM COMPANY (US) 1981-03-10 US disclosed
US-4218394-A FROM UNSATURATED NITRILES AND OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1980-08-19 US disclosed
US-4217303-A UNSATURATED HYDROCARBON, ADDUCT, UNSATURATED DINITRILE, BY-PRODUCT INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1980-08-12 US disclosed
US-4200586-A Inhibiting the carbon-carbon double bond isomerization of substituted or unsubstituted hydrocarbon compounds PHILLIPS PETROLEUM COMPANY (US) 1980-04-29 US disclosed
US-3996262-A Method of promoting the reaction of unsaturated nitriles with olefins to produce unsaturated nitriles of increased carbon number PHILLIPS PETROLEUM COMPANY (US) 1976-12-07 US disclosed
US-3985786-A REACTING AN OLEFINICALLY UNSATURATED NITRILE, AN OLEFINIC HYDROCARBON AND THEIR MONOADDUCT IN WATER PHILLIPS PETROLEUM COMPANY (US) 1976-10-12 US disclosed
US-3962179-A NEOPRENE COMPOSITIONS CONTAINING TRIARYLPHOSPHINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed