SCHEMBL6285400

SCHEMBL6285400

Cc1cc(O)cc(C)c1CCCc1c(C)cc(O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
CHRM1 P11229 1/20 0.48
ALOX15 P16050 1/20 0.48
MAOA P21397 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.45
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 3/20 0.39
HTR1D P28221 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL10763796 0.87 NPC1 (0.54) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL18704840 0.85 PTGS2 (0.59) CYP3A4CHRM1ALDH1A1PTGS2NPC1
SCHEMBL18704816 0.84 CYP3A4 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8780191 0.84 PTGS2 (0.61) CYP3A4CHRM1ALOX15ALDH1A1PTGS2
SCHEMBL16018027 0.84 PTGS2 (0.61) CYP3A4CHRM1ALOX15ALDH1A1PTGS2
SCHEMBL18704823 0.84 PTGS2 (0.61) CYP3A4CHRM1ALOX15ALDH1A1PTGS2
SCHEMBL18704830 0.84 PTGS2 (0.61) CYP3A4CHRM1ALOX15ALDH1A1PTGS2
SCHEMBL18704811 0.84 PTGS2 (0.61) CYP3A4CHRM1ALOX15ALDH1A1PTGS2
SCHEMBL28232346 0.82 CYP3A4 (0.42) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL675857 0.80 CYP3A4 (0.50) CYP3A4CHRM1ALOX15MAOATBXA2R

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734278-B2 MELT ESTER INTERCHANGE BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US claimed
US-20030139564-A1 Production of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 US claimed
US-6887970-B2 Method for producing polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-6835797-B2 Reacting a dihydroxyaryl compound with a diaryl carbonate to obtain a melt; flash evaporation of the monohydroxyaryl compound; heating the melt under vacuum; and repeating the steps BAYER AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
US-20040143088-A1 Method for producing polycarbonates COVESTRO DEUTSCHLAND AG (DE) 2004-07-22 US disclosed
US-6734278-B2 MELT ESTER INTERCHANGE BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed
US-6646099-B2 Production and use of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030139564-A1 Production of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-20030105272-A1 Production and use of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-06-05 US disclosed
US-20020177684-A1 Process for producing polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 2002-11-28 US disclosed
US-20020137874-A1 Process for producing oligocarbonates COVESTRO DEUTSCHLAND AG (DE) 2002-09-26 US disclosed