SCHEMBL809517

SCHEMBL809517

C=Cc1ccc(Cl)cc1CCC(C)I

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HSPD1 P10809 1/20 0.30
HSPA5 P11021 1/20 0.30
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30

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
SCHEMBL809863 0.86 HTR2A (0.31) S1PR1KDM4ETDP1MEN1SLC22A1
SCHEMBL809892 0.85 KDM4E (0.30) KDM4E
SCHEMBL810459 0.83 TAAR1 (0.33) TDP1
SCHEMBL809375 0.79 HTR2A (0.38) KDM4ETDP1MEN1LMNACYP3A4
SCHEMBL809981 0.77 SLC6A2 (0.36)
SCHEMBL28564772 0.77 SLC6A2 (0.35) S1PR1KDM4ETDP1MEN1SLC22A1
SCHEMBL809975 0.76 TDP1 (0.32) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL8170934 0.74 TDP1 (0.41) KDM4ETDP1MEN1SLC22A1USP2
SCHEMBL15524757 0.74 HPGD (0.36) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL809722 0.73 PTGDR (0.35) KDM4ETDP1MEN1SLC22A1USP2

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
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed