SCHEMBL809991

SCHEMBL809991

C=Cc1ccc(CCl)cc1OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
TLR8 Q9NR97 2/20 0.38
GLA P06280 1/20 0.38
PPARA Q07869 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL28323531 0.85 CNR2 (0.56) CNR2ALDH1A1GAAMAPTCNR1
SCHEMBL3627650 0.81 NR5A1 (0.45) CNR2THRBTP53TSHR
SCHEMBL1257467 0.81 S1PR2 (0.48) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL19359560 0.81 S1PR2 (0.48) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL10995116 0.81 S1PR2 (0.48) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL15899460 0.80 TLR8 (0.40) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL15899585 0.80 TLR8 (0.40) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL1967921 0.80 TLR8 (0.40) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL2190590 0.79 TLR8 (0.40) CNR2ALDH1A1GAAMAPTTHRB
SCHEMBL16010995 0.79 TLR8 (0.40) CNR2ALDH1A1GAAMAPTTHRB

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