SCHEMBL4854655

SCHEMBL4854655

C1=CC(C2CCCCCC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HTR2A P28223 7/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 6/20 0.34
HRH3 Q9Y5N1 5/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NOS1 P29475 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL10589173 1.00 PRCP (0.38) PRCPIDO1TDO2HTR2ABCHE
SCHEMBL9808112 1.00 PRCP (0.38) PRCPIDO1TDO2HTR2ABCHE
SCHEMBL7605148 1.00 PRCP (0.38) PRCPIDO1TDO2HTR2ABCHE
SCHEMBL1074094 0.98 HTR2A (0.35) PRCPIDO1TDO2HTR2ABCHE
SCHEMBL28839778 0.94 HTR2A (0.35) PRCPIDO1TDO2HTR2AHTR6
SCHEMBL10352714 0.90 HTR2A (0.38) HTR2AHTR2CHTR2BHTR6KDM4E
SCHEMBL6443438 0.83 HDAC4 (0.34) KDM4EALDH1A1POLBPTGDR2
SCHEMBL7185802 0.82 HTR2A (0.35) IDO1TDO2HTR2ABCHEACHE
SCHEMBL7185808 0.82 HTR2A (0.35) IDO1TDO2HTR2ABCHEACHE
SCHEMBL10605874 0.81 HTR2A (0.31) PRCPIDO1TDO2HTR2AHTR2C

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-1969097-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2008-09-17 EP disclosed
WO-2007077165-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS CIBA HOLDING INC. (CH) 2007-07-12 WO disclosed
EP-1571928-A2 ANTIOXIDANT FOR FATS, OILS AND FOOD Ciba SC Holding AG (CH) 2005-09-14 EP disclosed
WO-2004055141-A2 ANTIOXIDANT FOR FATS, OILS AND FOOD CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-01 WO disclosed