SCHEMBL809974

SCHEMBL809974

C=Cc1ccc(CCC(Cl)I)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP13 P45452 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL809721 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL28390815 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL810464 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTAS1R3TAS1R1TP53
SCHEMBL809791 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTAS1R3TAS1R1TP53
SCHEMBL50012 0.76 ALDH1A1 (0.65) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL1647493 0.76 ALDH1A1 (0.65) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL5034577 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTAS1R3TAS1R1TDP1
SCHEMBL11827995 0.75 TAS1R3 (0.38) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL9652791 0.74 ALDH1A1 (0.55) ALDH1A1TSHRTAS1R3TAS1R1POLB
SCHEMBL2638242 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTAS1R3TAS1R1TDP1

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