SCHEMBL5547560

SCHEMBL5547560

CCC1(C)CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 9/20 0.47
EBP Q15125 1/20 0.47
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
NR3C1 P04150 2/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL30298335 0.89 SIGMAR1 (0.44) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL30298333 0.89 SIGMAR1 (0.44) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL7549093 0.89 SIGMAR1 (0.44) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL5549325 0.86 KDM1A (0.50) KDM1AMEN1KMT2ASIGMAR1EBP
Methyl Alcohol SCHEMBL14815579 0.85 SIGMAR1 (0.42) KDM1AMEN1KMT2ASIGMAR1TP53
SCHEMBL20136561 0.84 KDM1A (0.51) KDM1AMEN1KMT2ASIGMAR1EBP
Hydrochloric Acid SCHEMBL15824893 0.82 KDM1A (0.54) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL29417920 0.81 SIGMAR1 (0.49) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL29417922 0.81 SIGMAR1 (0.49) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL27525590 0.80 SIGMAR1 (0.49) KDM1AMEN1KMT2ASIGMAR1EBP

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
CN-100416905-C Fuel cell with reformer JAPAN ENERGY CORP (JP) 2008-09-03 CN disclosed
US-20070184311-A1 Fuel cell with reformer JAPAN ENERGY CORPORATION (JP) 2007-08-09 US disclosed
CN-1816936-A Fuel cell with reformer JAPAN ENERGY CORP (JP) 2006-08-09 CN disclosed
EP-1662598-A1 FUEL CELL WITH REFORMER Japan Energy Corporation (JP) 2006-05-31 EP disclosed
EP-0425740-B1 Adsorptive separation of para-xylene UOP INC (US) 1994-06-01 EP disclosed
US-5177295-A Chromatography, adsorption UOP (US) 1993-01-05 US disclosed
US-5171922-A Preventing accumulation of C9 isomers in desorbent by directing stream split from extract bottoms to raffinate fractionator UOP (US) 1992-12-15 US disclosed
US-5107062-A Selective adsorption, cation exchanging UOP (US) 1992-04-21 US disclosed
US-5057643-A Zeolitic para-xylene separation with tetralin derivatives as heavy desorbent UOP (US) 1991-10-15 US disclosed
EP-0425740-A1 Adsorptive separation of para-xylene UOP (US) 1991-05-08 EP disclosed
US-4956522-A ADSORBERS HAVING POTASSIUM IONS, CHROMATOGRAPHY UOP (US) 1990-09-11 US disclosed